Exact Mass: 495.25332160000005
Exact Mass Matches: 495.25332160000005
Found 500 metabolites which its exact mass value is equals to given mass value 495.25332160000005,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Silodosin
C25H32F3N3O4 (495.23447880000003)
aeruginosin DA495A|D-Hpla-D-Phe-L-6-epi-Choi-amide
C27H33N3O6 (495.23692380000006)
Lys Tyr Ala Asp
C22H33N5O8 (495.23290180000004)
Val Tyr Ser Lys
Tyr Ala Asp Lys
C22H33N5O8 (495.23290180000004)
6-Benzoylheteratisine
C29H37NO6 (495.26207420000003)
Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid
Silodosin
C25H32F3N3O4 (495.23447880000003)
G - Genito urinary system and sex hormones > G04 - Urologicals > G04C - Drugs used in benign prostatic hypertrophy > G04CA - Alpha-adrenoreceptor antagonists C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D000089162 - Genitourinary Agents > D064804 - Urological Agents Silodosin (KAD 3213; KMD 3213) is a potent, selective and orally active α1A-adrenergic receptor (α1A-AR) blocker. Silodosin exhibits high affinity for α1A-AR (Ki=0.036 nM), over 162-fold and 50-fold than for α1B-AR and α1D-AR with Ki values of 21 nM and 2.0 nM, respectively. Silodosin is an effective and well-tolerated agent, it can be used for the investigation of LUTS/BPH[1][3].
Ala Asp Lys Tyr
C22H33N5O8 (495.23290180000004)
Ala Phe Lys Met
C23H37N5O5S (495.25152720000006)
Ala Phe Met Lys
C23H37N5O5S (495.25152720000006)
Ala Lys Phe Met
C23H37N5O5S (495.25152720000006)
Ala Lys Met Phe
C23H37N5O5S (495.25152720000006)
Ala Met Phe Lys
C23H37N5O5S (495.25152720000006)
Ala Met Lys Phe
C23H37N5O5S (495.25152720000006)
Ala Arg Ser Tyr
C21H33N7O7 (495.24413480000004)
Ala Arg Tyr Ser
C21H33N7O7 (495.24413480000004)
Ala Ser Arg Tyr
C21H33N7O7 (495.24413480000004)
Ala Ser Tyr Arg
C21H33N7O7 (495.24413480000004)
Ala Tyr Arg Ser
C21H33N7O7 (495.24413480000004)
Ala Tyr Ser Arg
C21H33N7O7 (495.24413480000004)
Cys Phe Lys Val
C23H37N5O5S (495.25152720000006)
Cys Phe Val Lys
C23H37N5O5S (495.25152720000006)
Cys Lys Phe Val
C23H37N5O5S (495.25152720000006)
Cys Lys Val Phe
C23H37N5O5S (495.25152720000006)
Cys Val Phe Lys
C23H37N5O5S (495.25152720000006)
Cys Val Lys Phe
C23H37N5O5S (495.25152720000006)
Asp His Lys Pro
C21H33N7O7 (495.24413480000004)
Asp His Pro Lys
C21H33N7O7 (495.24413480000004)
Asp Lys His Pro
C21H33N7O7 (495.24413480000004)
Asp Lys Pro His
C21H33N7O7 (495.24413480000004)
Asp Pro His Lys
C21H33N7O7 (495.24413480000004)
Asp Pro Lys His
C21H33N7O7 (495.24413480000004)
Phe Ala Lys Met
C23H37N5O5S (495.25152720000006)
Phe Ala Met Lys
C23H37N5O5S (495.25152720000006)
Phe Cys Lys Val
C23H37N5O5S (495.25152720000006)
Phe Cys Val Lys
C23H37N5O5S (495.25152720000006)
Phe Lys Ala Met
C23H37N5O5S (495.25152720000006)
Phe Lys Cys Val
C23H37N5O5S (495.25152720000006)
Phe Lys Met Ala
C23H37N5O5S (495.25152720000006)
Phe Lys Thr Thr
Phe Lys Val Cys
C23H37N5O5S (495.25152720000006)
Phe Met Ala Lys
C23H37N5O5S (495.25152720000006)
Phe Met Lys Ala
C23H37N5O5S (495.25152720000006)
Phe Arg Ser Ser
C21H33N7O7 (495.24413480000004)
Phe Ser Arg Ser
C21H33N7O7 (495.24413480000004)
Phe Ser Ser Arg
C21H33N7O7 (495.24413480000004)
Phe Thr Lys Thr
Phe Thr Thr Lys
Phe Val Cys Lys
C23H37N5O5S (495.25152720000006)
Phe Val Lys Cys
C23H37N5O5S (495.25152720000006)
Gly Arg Thr Tyr
C21H33N7O7 (495.24413480000004)
Gly Arg Tyr Thr
C21H33N7O7 (495.24413480000004)
Gly Thr Arg Tyr
C21H33N7O7 (495.24413480000004)
Gly Thr Tyr Arg
C21H33N7O7 (495.24413480000004)
Gly Tyr Arg Thr
C21H33N7O7 (495.24413480000004)
Gly Tyr Thr Arg
C21H33N7O7 (495.24413480000004)
His Asp Lys Pro
C21H33N7O7 (495.24413480000004)
His Asp Pro Lys
C21H33N7O7 (495.24413480000004)
His Lys Asp Pro
C21H33N7O7 (495.24413480000004)
His Lys Pro Asp
C21H33N7O7 (495.24413480000004)
His Pro Asp Lys
C21H33N7O7 (495.24413480000004)
His Pro Lys Asp
C21H33N7O7 (495.24413480000004)
His Pro Arg Ser
C20H33N9O6 (495.25536780000004)
His Pro Ser Arg
C20H33N9O6 (495.25536780000004)
His Arg Pro Ser
C20H33N9O6 (495.25536780000004)
His Arg Ser Pro
C20H33N9O6 (495.25536780000004)
His Ser Pro Arg
C20H33N9O6 (495.25536780000004)
His Ser Arg Pro
C20H33N9O6 (495.25536780000004)
Lys Ala Phe Met
C23H37N5O5S (495.25152720000006)
Lys Ala Met Phe
C23H37N5O5S (495.25152720000006)
Lys Cys Phe Val
C23H37N5O5S (495.25152720000006)
Lys Cys Val Phe
C23H37N5O5S (495.25152720000006)
Lys Asp His Pro
C21H33N7O7 (495.24413480000004)
Lys Asp Pro His
C21H33N7O7 (495.24413480000004)
Lys Phe Ala Met
C23H37N5O5S (495.25152720000006)
Lys Phe Cys Val
C23H37N5O5S (495.25152720000006)
Lys Phe Met Ala
C23H37N5O5S (495.25152720000006)
Lys Phe Thr Thr
Lys Phe Val Cys
C23H37N5O5S (495.25152720000006)
Lys His Asp Pro
C21H33N7O7 (495.24413480000004)
Lys His Pro Asp
C21H33N7O7 (495.24413480000004)
Lys Met Ala Phe
C23H37N5O5S (495.25152720000006)
Lys Met Phe Ala
C23H37N5O5S (495.25152720000006)
Lys Pro Asp His
C21H33N7O7 (495.24413480000004)
Lys Pro His Asp
C21H33N7O7 (495.24413480000004)
Lys Ser Phe Asp
C22H33N5O8 (495.23290180000004)
Lys Ser Val Tyr
Lys Ser Tyr Val
Lys Thr Phe Thr
Lys Thr Thr Phe
Lys Val Cys Phe
C23H37N5O5S (495.25152720000006)
Lys Val Phe Cys
C23H37N5O5S (495.25152720000006)
Lys Val Ser Tyr
Lys Val Tyr Ser
Lys Tyr Ser Val
Lys Tyr Val Ser
Met Ala Phe Lys
C23H37N5O5S (495.25152720000006)
Met Ala Lys Phe
C23H37N5O5S (495.25152720000006)
Met Phe Ala Lys
C23H37N5O5S (495.25152720000006)
Met Phe Lys Ala
C23H37N5O5S (495.25152720000006)
Met Lys Ala Phe
C23H37N5O5S (495.25152720000006)
Met Lys Phe Ala
C23H37N5O5S (495.25152720000006)
Asn Tyr Thr Val
C22H33N5O8 (495.23290180000004)
Asn Tyr Val Thr
C22H33N5O8 (495.23290180000004)
Pro Asp His Lys
C21H33N7O7 (495.24413480000004)
Pro Asp Lys His
C21H33N7O7 (495.24413480000004)
Pro His Asp Lys
C21H33N7O7 (495.24413480000004)
Pro His Lys Asp
C21H33N7O7 (495.24413480000004)
Pro His Arg Ser
C20H33N9O6 (495.25536780000004)
Pro His Ser Arg
C20H33N9O6 (495.25536780000004)
Pro Lys Asp His
C21H33N7O7 (495.24413480000004)
Pro Lys His Asp
C21H33N7O7 (495.24413480000004)
Pro Pro Pro Trp
C26H33N5O5 (495.24815680000006)
Pro Pro Trp Pro
C26H33N5O5 (495.24815680000006)
Pro Arg His Ser
C20H33N9O6 (495.25536780000004)
Pro Arg Ser His
C20H33N9O6 (495.25536780000004)
Pro Ser His Arg
C20H33N9O6 (495.25536780000004)
Pro Ser Arg His
C20H33N9O6 (495.25536780000004)
Pro Trp Pro Pro
C26H33N5O5 (495.24815680000006)
Gln Phe Thr Thr
C22H33N5O8 (495.23290180000004)
Gln Ser Val Tyr
C22H33N5O8 (495.23290180000004)
Gln Ser Tyr Val
C22H33N5O8 (495.23290180000004)
Gln Thr Phe Thr
C22H33N5O8 (495.23290180000004)
Gln Thr Thr Phe
C22H33N5O8 (495.23290180000004)
Gln Val Ser Tyr
C22H33N5O8 (495.23290180000004)
Gln Val Tyr Ser
C22H33N5O8 (495.23290180000004)
Gln Tyr Ser Val
C22H33N5O8 (495.23290180000004)
Gln Tyr Val Ser
C22H33N5O8 (495.23290180000004)
Arg Ala Ser Tyr
C21H33N7O7 (495.24413480000004)
Arg Ala Tyr Ser
C21H33N7O7 (495.24413480000004)
Arg Phe Ser Ser
C21H33N7O7 (495.24413480000004)
Arg Gly Thr Tyr
C21H33N7O7 (495.24413480000004)
Arg Gly Tyr Thr
C21H33N7O7 (495.24413480000004)
Arg His Pro Ser
C20H33N9O6 (495.25536780000004)
Arg His Ser Pro
C20H33N9O6 (495.25536780000004)
Arg Pro His Ser
C20H33N9O6 (495.25536780000004)
Arg Pro Ser His
C20H33N9O6 (495.25536780000004)
Arg Ser Ala Tyr
C21H33N7O7 (495.24413480000004)
Arg Ser Phe Ser
C21H33N7O7 (495.24413480000004)
Arg Ser His Pro
C20H33N9O6 (495.25536780000004)
Arg Ser Pro His
C20H33N9O6 (495.25536780000004)
Arg Ser Ser Phe
C21H33N7O7 (495.24413480000004)
Arg Ser Tyr Ala
C21H33N7O7 (495.24413480000004)
Arg Thr Gly Tyr
C21H33N7O7 (495.24413480000004)
Arg Thr Tyr Gly
C21H33N7O7 (495.24413480000004)
Arg Tyr Ala Ser
C21H33N7O7 (495.24413480000004)
Arg Tyr Gly Thr
C21H33N7O7 (495.24413480000004)
Arg Tyr Ser Ala
C21H33N7O7 (495.24413480000004)
Arg Tyr Thr Gly
C21H33N7O7 (495.24413480000004)
Ser Ala Arg Tyr
C21H33N7O7 (495.24413480000004)
Ser Ala Tyr Arg
C21H33N7O7 (495.24413480000004)
Ser Asp Phe Lys
C22H33N5O8 (495.23290180000004)
Ser Asp Lys Phe
C22H33N5O8 (495.23290180000004)
Ser Phe Asp Lys
C22H33N5O8 (495.23290180000004)
Ser Phe Lys Asp
C22H33N5O8 (495.23290180000004)
Ser Phe Arg Ser
C21H33N7O7 (495.24413480000004)
Ser Phe Ser Arg
C21H33N7O7 (495.24413480000004)
Ser His Pro Arg
C20H33N9O6 (495.25536780000004)
Ser His Arg Pro
C20H33N9O6 (495.25536780000004)
Ser Ile Asn Tyr
C22H33N5O8 (495.23290180000004)
Ser Ile Tyr Asn
C22H33N5O8 (495.23290180000004)
Ser Lys Asp Phe
C22H33N5O8 (495.23290180000004)
Ser Lys Phe Asp
C22H33N5O8 (495.23290180000004)
Ser Lys Val Tyr
Ser Lys Tyr Val
Ser Leu Asn Tyr
C22H33N5O8 (495.23290180000004)
Ser Leu Tyr Asn
C22H33N5O8 (495.23290180000004)
Ser Asn Ile Tyr
C22H33N5O8 (495.23290180000004)
Ser Asn Leu Tyr
C22H33N5O8 (495.23290180000004)
Ser Asn Tyr Ile
C22H33N5O8 (495.23290180000004)
Ser Asn Tyr Leu
C22H33N5O8 (495.23290180000004)
Ser Pro His Arg
C20H33N9O6 (495.25536780000004)
Ser Pro Arg His
C20H33N9O6 (495.25536780000004)
Ser Gln Val Tyr
C22H33N5O8 (495.23290180000004)
Ser Gln Tyr Val
C22H33N5O8 (495.23290180000004)
Ser Arg Ala Tyr
C21H33N7O7 (495.24413480000004)
Ser Arg Phe Ser
C21H33N7O7 (495.24413480000004)
Ser Arg His Pro
C20H33N9O6 (495.25536780000004)
Ser Arg Pro His
C20H33N9O6 (495.25536780000004)
Ser Arg Ser Phe
C21H33N7O7 (495.24413480000004)
Ser Arg Tyr Ala
C21H33N7O7 (495.24413480000004)
Ser Ser Phe Arg
C21H33N7O7 (495.24413480000004)
Ser Ser Arg Phe
C21H33N7O7 (495.24413480000004)
Ser Val Lys Tyr
Ser Val Gln Tyr
C22H33N5O8 (495.23290180000004)
Ser Val Tyr Lys
Ser Val Tyr Gln
C22H33N5O8 (495.23290180000004)
Ser Tyr Ala Arg
C21H33N7O7 (495.24413480000004)
Ser Tyr Ile Asn
C22H33N5O8 (495.23290180000004)
Ser Tyr Lys Val
Ser Tyr Leu Asn
C22H33N5O8 (495.23290180000004)
Ser Tyr Asn Ile
C22H33N5O8 (495.23290180000004)
Ser Tyr Asn Leu
C22H33N5O8 (495.23290180000004)
Ser Tyr Gln Val
C22H33N5O8 (495.23290180000004)
Ser Tyr Arg Ala
C21H33N7O7 (495.24413480000004)
Ser Tyr Val Lys
Ser Tyr Val Gln
C22H33N5O8 (495.23290180000004)
Thr Phe Lys Thr
Thr Phe Gln Thr
C22H33N5O8 (495.23290180000004)
Thr Phe Thr Lys
Thr Phe Thr Gln
C22H33N5O8 (495.23290180000004)
Thr Gly Arg Tyr
C21H33N7O7 (495.24413480000004)
Thr Gly Tyr Arg
C21H33N7O7 (495.24413480000004)
Thr Lys Phe Thr
Thr Lys Thr Phe
Thr Asn Val Tyr
C22H33N5O8 (495.23290180000004)
Thr Asn Tyr Val
C22H33N5O8 (495.23290180000004)
Thr Gln Phe Thr
C22H33N5O8 (495.23290180000004)
Thr Gln Thr Phe
C22H33N5O8 (495.23290180000004)
Thr Arg Gly Tyr
C21H33N7O7 (495.24413480000004)
Thr Arg Tyr Gly
C21H33N7O7 (495.24413480000004)
Thr Thr Phe Lys
Thr Thr Phe Gln
C22H33N5O8 (495.23290180000004)
Thr Thr Lys Phe
Thr Thr Gln Phe
C22H33N5O8 (495.23290180000004)
Thr Val Asn Tyr
C22H33N5O8 (495.23290180000004)
Thr Val Tyr Asn
C22H33N5O8 (495.23290180000004)
Thr Tyr Gly Arg
C21H33N7O7 (495.24413480000004)
Thr Tyr Asn Val
C22H33N5O8 (495.23290180000004)
Thr Tyr Arg Gly
C21H33N7O7 (495.24413480000004)
Thr Tyr Val Asn
C22H33N5O8 (495.23290180000004)
Val Cys Phe Lys
C23H37N5O5S (495.25152720000006)
Val Cys Lys Phe
C23H37N5O5S (495.25152720000006)
Val Phe Cys Lys
C23H37N5O5S (495.25152720000006)
Val Phe Lys Cys
C23H37N5O5S (495.25152720000006)
Val Lys Cys Phe
C23H37N5O5S (495.25152720000006)
Val Lys Phe Cys
C23H37N5O5S (495.25152720000006)
Val Lys Ser Tyr
Val Lys Tyr Ser
Val Asn Thr Tyr
C22H33N5O8 (495.23290180000004)
Val Asn Tyr Thr
C22H33N5O8 (495.23290180000004)
Val Gln Ser Tyr
C22H33N5O8 (495.23290180000004)
Val Gln Tyr Ser
C22H33N5O8 (495.23290180000004)
Val Ser Lys Tyr
Val Ser Gln Tyr
C22H33N5O8 (495.23290180000004)
Val Ser Tyr Lys
Val Ser Tyr Gln
C22H33N5O8 (495.23290180000004)
Val Thr Tyr Asn
C22H33N5O8 (495.23290180000004)
Val Tyr Lys Ser
Val Tyr Asn Thr
C22H33N5O8 (495.23290180000004)
Val Tyr Gln Ser
C22H33N5O8 (495.23290180000004)
Val Tyr Ser Gln
C22H33N5O8 (495.23290180000004)
Val Tyr Thr Asn
C22H33N5O8 (495.23290180000004)
Trp Pro Pro Pro
C26H33N5O5 (495.24815680000006)
Tyr Ala Lys Asp
C22H33N5O8 (495.23290180000004)
Tyr Ala Arg Ser
C21H33N7O7 (495.24413480000004)
Tyr Ala Ser Arg
C21H33N7O7 (495.24413480000004)
Tyr Asp Ala Lys
C22H33N5O8 (495.23290180000004)
Tyr Asp Lys Ala
C22H33N5O8 (495.23290180000004)
Tyr Glu Gly Lys
C22H33N5O8 (495.23290180000004)
Tyr Glu Lys Gly
C22H33N5O8 (495.23290180000004)
Tyr Gly Glu Lys
C22H33N5O8 (495.23290180000004)
Tyr Gly Lys Glu
C22H33N5O8 (495.23290180000004)
Tyr Gly Arg Thr
C21H33N7O7 (495.24413480000004)
Tyr Gly Thr Arg
C21H33N7O7 (495.24413480000004)
Tyr Ile Asn Ser
C22H33N5O8 (495.23290180000004)
Tyr Ile Ser Asn
C22H33N5O8 (495.23290180000004)
Tyr Lys Ala Asp
C22H33N5O8 (495.23290180000004)
Tyr Lys Asp Ala
C22H33N5O8 (495.23290180000004)
Tyr Lys Glu Gly
C22H33N5O8 (495.23290180000004)
Tyr Lys Gly Glu
C22H33N5O8 (495.23290180000004)
Tyr Lys Ser Val
Tyr Lys Val Ser
Tyr Leu Asn Ser
C22H33N5O8 (495.23290180000004)
Tyr Leu Ser Asn
C22H33N5O8 (495.23290180000004)
Tyr Asn Ile Ser
C22H33N5O8 (495.23290180000004)
Tyr Asn Leu Ser
C22H33N5O8 (495.23290180000004)
Tyr Asn Ser Ile
C22H33N5O8 (495.23290180000004)
Tyr Asn Ser Leu
C22H33N5O8 (495.23290180000004)
Tyr Asn Thr Val
C22H33N5O8 (495.23290180000004)
Tyr Asn Val Thr
C22H33N5O8 (495.23290180000004)
Tyr Gln Ser Val
C22H33N5O8 (495.23290180000004)
Tyr Gln Val Ser
C22H33N5O8 (495.23290180000004)
Tyr Arg Ala Ser
C21H33N7O7 (495.24413480000004)
Tyr Arg Gly Thr
C21H33N7O7 (495.24413480000004)
Tyr Arg Ser Ala
C21H33N7O7 (495.24413480000004)
Tyr Arg Thr Gly
C21H33N7O7 (495.24413480000004)
Tyr Ser Ala Arg
C21H33N7O7 (495.24413480000004)
Tyr Ser Ile Asn
C22H33N5O8 (495.23290180000004)
Tyr Ser Lys Val
Tyr Ser Leu Asn
C22H33N5O8 (495.23290180000004)
Tyr Ser Asn Ile
C22H33N5O8 (495.23290180000004)
Tyr Ser Asn Leu
C22H33N5O8 (495.23290180000004)
Tyr Ser Gln Val
C22H33N5O8 (495.23290180000004)
Tyr Ser Arg Ala
C21H33N7O7 (495.24413480000004)
Tyr Ser Val Lys
Tyr Ser Val Gln
C22H33N5O8 (495.23290180000004)
Tyr Thr Gly Arg
C21H33N7O7 (495.24413480000004)
Tyr Thr Asn Val
C22H33N5O8 (495.23290180000004)
Tyr Thr Arg Gly
C21H33N7O7 (495.24413480000004)
Tyr Thr Val Asn
C22H33N5O8 (495.23290180000004)
Tyr Val Lys Ser
Tyr Val Asn Thr
C22H33N5O8 (495.23290180000004)
Tyr Val Gln Ser
C22H33N5O8 (495.23290180000004)
Tyr Val Ser Lys
Tyr Val Ser Gln
C22H33N5O8 (495.23290180000004)
Tyr Val Thr Asn
C22H33N5O8 (495.23290180000004)
(alphaS)-4-[(1,1-Dimethylethoxy)carbonyl]-alpha-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1-piperazinepropanoic acid
C27H33N3O6 (495.23692380000006)
4-[(1,4-Dimethyl-2-propyl[2,6-bi-1H-benzimidazol]-1-yl)methyl]-[1,1-biphenyl]-2-carbonitrile
(2E,4E,6E,8E)-4,5-dimethoxy-2-nitrobenzyl 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
C29H37NO6 (495.26207420000003)
2-[[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]methyl] Sumatriptan
Octanoic acid, 8-oxo-8-(phenylamino)-, [1,8-dioxo-8-(phenylamino)octyl]azanyl ester
C28H37N3O5 (495.27330720000003)
2-N-FMOC-AMINO-3-(2-N-BOC-AMINO-PYRROLIDINYL)PROPIONIC ACID
C27H33N3O6 (495.23692380000006)
(S)-2-(3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-(phenyl(tetrahydro-2H-pyran-4-yl)methyl)-5H-pyrido[3,2-b]indol-7-yl)propan-2-ol
C30H33N5O2 (495.26341180000003)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
Tefinostat
C28H37N3O5 (495.27330720000003)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol
C22H41N5O4Si2 (495.2696946000001)
3-(4-Amino-2-tert-butyl-5-methyl-phenylsulfanyl)-6-cyclopentyl-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-5,6-dihydro-pyran-2-one
C29H37NO4S (495.24431620000007)
leukotriene D4(1-)
The leukotriene anion that is the monoanion of leukotriene D4 arising from deprotonation of the two carboxy groups and protonation of the cysteinyl alpha-amino group.
(2R,3R)-8-(2-fluorophenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
1-[[(4R,5R)-8-(3-hydroxy-3-methylbut-1-ynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
C24H37N3O6S (495.24029420000005)
3-fluoro-N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
C28H34FN3O4 (495.25332160000005)
2-[(2S,4aS,12aR)-5-methyl-6-oxo-8-[(2-phenylacetyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide
C27H33N3O6 (495.23692380000006)
(8R,9R,10R)-10-(hydroxymethyl)-N-(2-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
3-fluoro-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
C28H34FN3O4 (495.25332160000005)
3-fluoro-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
C28H34FN3O4 (495.25332160000005)
3-fluoro-N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
C28H34FN3O4 (495.25332160000005)
1-[[(4S,5S)-8-(3-hydroxy-3-methylbut-1-ynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
C24H37N3O6S (495.24029420000005)
1-[[(4S,5R)-8-(3-hydroxy-3-methylbut-1-ynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
C24H37N3O6S (495.24029420000005)
1-[[(4S,5R)-8-(3-hydroxy-3-methylbut-1-ynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
C24H37N3O6S (495.24029420000005)
2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[(2-phenylacetyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide
C27H33N3O6 (495.23692380000006)
2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide
C27H33N3O6 (495.23692380000006)
2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide
C27H33N3O6 (495.23692380000006)
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone
C26H33N5O5 (495.24815680000006)
2-[(3R,6aR,8R,10aR)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-piperidin-1-ylethyl)acetamide
C24H37N3O6S (495.24029420000005)
3-fluoro-N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
C28H34FN3O4 (495.25332160000005)
3-fluoro-N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
C28H34FN3O4 (495.25332160000005)
3-fluoro-N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
C28H34FN3O4 (495.25332160000005)
1-[[(4R,5S)-8-(3-hydroxy-3-methylbut-1-ynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
C24H37N3O6S (495.24029420000005)
1-[[(4S,5S)-8-(3-hydroxy-3-methylbut-1-ynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
C24H37N3O6S (495.24029420000005)
1-[[(4R,5S)-8-(3-hydroxy-3-methylbut-1-ynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
C24H37N3O6S (495.24029420000005)
1-[[(4R,5R)-8-(3-hydroxy-3-methylbut-1-ynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
C24H37N3O6S (495.24029420000005)
2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide
C27H33N3O6 (495.23692380000006)
2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide
C27H33N3O6 (495.23692380000006)
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(pyrazine-2-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenylpiperazin-1-yl)ethanone
C26H33N5O5 (495.24815680000006)
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone
C26H33N5O5 (495.24815680000006)
2-[(3S,6aS,8R,10aS)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C24H37N3O6S (495.24029420000005)
2-[(3R,6aR,8S,10aR)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-piperidin-1-ylethyl)acetamide
C24H37N3O6S (495.24029420000005)
(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C27H33N3O6 (495.23692380000006)
(2R,3R)-8-(2-fluorophenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2S,3S)-8-(2-fluorophenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
N-[[(2R,3R)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
C28H34FN3O4 (495.25332160000005)
N-[[(2R,3S)-8-(1-cyclohexenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
C28H34FN3O4 (495.25332160000005)
N-[[(2S,3R)-8-(1-cyclohexenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
C28H34FN3O4 (495.25332160000005)
(2S,3R)-8-(2-fluorophenyl)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide
C24H37N3O6S (495.24029420000005)
N-[(4R,7S,8S)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide
C26H33N5O5 (495.24815680000006)
N-[(4S,7S,8S)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide
C26H33N5O5 (495.24815680000006)
N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
C26H33N5O5 (495.24815680000006)
N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
C26H33N5O5 (495.24815680000006)
N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
C26H33N5O5 (495.24815680000006)
2-[(2R,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide
C27H33N3O6 (495.23692380000006)
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone
C26H33N5O5 (495.24815680000006)
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone
C26H33N5O5 (495.24815680000006)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone
C26H33N5O5 (495.24815680000006)
2-[(3S,6aR,8R,10aR)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C24H37N3O6S (495.24029420000005)
2-[(3S,6aR,8S,10aR)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C24H37N3O6S (495.24029420000005)
(2S,3S,3aR,9bR)-N-(cyclopropylmethyl)-7-(3-fluorophenyl)-3-(hydroxymethyl)-1-(4-oxanylmethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C28H34FN3O4 (495.25332160000005)
(1R)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-2-(1-oxopropyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
C26H33N5O5 (495.24815680000006)
(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C27H33N3O6 (495.23692380000006)
(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C27H33N3O6 (495.23692380000006)
(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C27H33N3O6 (495.23692380000006)
(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C27H33N3O6 (495.23692380000006)
(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C27H33N3O6 (495.23692380000006)
(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C27H33N3O6 (495.23692380000006)
(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C27H33N3O6 (495.23692380000006)
(2S,3R)-8-(2-fluorophenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2R,3S)-8-(2-fluorophenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2R,3S)-8-(2-fluorophenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2S,3R)-8-(2-fluorophenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2S,3S)-8-(2-fluorophenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
N-[[(2S,3S)-8-(1-cyclohexenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
C28H34FN3O4 (495.25332160000005)
N-[[(2S,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
C28H34FN3O4 (495.25332160000005)
N-[[(2S,3R)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
C28H34FN3O4 (495.25332160000005)
N-[[(2R,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
C28H34FN3O4 (495.25332160000005)
(2R,3R)-8-(2-fluorophenyl)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2R,3R)-8-(2-fluorophenyl)-2-[[(2-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide
C24H37N3O6S (495.24029420000005)
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide
C24H37N3O6S (495.24029420000005)
N-[(4S,7S,8R)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide
C26H33N5O5 (495.24815680000006)
N-[(4R,7R,8R)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C24H37N3O6S (495.24029420000005)
N-[(4S,7R,8S)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide
C26H33N5O5 (495.24815680000006)
N-[(4R,7R,8S)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C24H37N3O6S (495.24029420000005)
N-[(4R,7S,8S)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C24H37N3O6S (495.24029420000005)
N-[(4R,7S,8R)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide
C26H33N5O5 (495.24815680000006)
N-[(4S,7R,8S)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C24H37N3O6S (495.24029420000005)
N-[(4S,7S,8R)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C24H37N3O6S (495.24029420000005)
N-[(4S,7S,8S)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C24H37N3O6S (495.24029420000005)
N-[(4R,7S,8R)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C24H37N3O6S (495.24029420000005)
N-[(4S,7R,8R)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C24H37N3O6S (495.24029420000005)
N-[(4R,7R,8R)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide
C26H33N5O5 (495.24815680000006)
N-[(4S,7R,8R)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide
C26H33N5O5 (495.24815680000006)
N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
C26H33N5O5 (495.24815680000006)
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
C26H33N5O5 (495.24815680000006)
N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
C26H33N5O5 (495.24815680000006)
2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide
C27H33N3O6 (495.23692380000006)
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone
C26H33N5O5 (495.24815680000006)
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone
C26H33N5O5 (495.24815680000006)
2-[(3S,6aS,8S,10aS)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C24H37N3O6S (495.24029420000005)
2-[(3R,6aS,8R,10aS)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C24H37N3O6S (495.24029420000005)
(2R,3R,3aS,9bS)-N-(cyclopropylmethyl)-7-(3-fluorophenyl)-3-(hydroxymethyl)-1-(4-oxanylmethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C28H34FN3O4 (495.25332160000005)
(1S)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-2-(1-oxopropyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
C26H33N5O5 (495.24815680000006)
[(1S,2S,6S,9S,10R,14R,17S,18S,19S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-19-yl] benzoate
C29H37NO6 (495.26207420000003)
[(1S,6S,9S,14R,17S,19S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-19-yl] benzoate
C29H37NO6 (495.26207420000003)
2-amino-3-[[3-[(Z)-hexadec-9-enoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
C22H42NO9P (495.25970520000004)
[(1S,2S,6S,9S,10R,14R,17S,19S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-19-yl] benzoate
C29H37NO6 (495.26207420000003)
[(1S,6S,9S,11S,14R,17S,19S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-19-yl] benzoate
C29H37NO6 (495.26207420000003)
1-(9Z-hexadecenoyl)-glycero-3-phosphoserine
C22H42NO9P (495.25970520000004)
PCSK9-IN-13
C30H33N5O2 (495.26341180000003)
PCSK9-IN-13(compound 3f) is a potent PCSK9 inhibitor, which can antagonize low-density lipoprotein (LDL) receptor binding by binding to PCSK9, with an IC50 of 537 nM[1].
5,13,18-trihydroxy-16-[(2-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
C29H37NO6 (495.26207420000003)
(1r,14r,16s,20s,21s,22r)-21,22-dihydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate
C29H37NO6 (495.26207420000003)
4,26-dimethoxy-2-oxa-11,15,20-triazatricyclo[22.3.1.1³,⁷]nonacosa-1(28),3(29),4,6,8,10,20,22,24,26-decaene-10,21,27-triol
C27H33N3O6 (495.23692380000006)
1,2-dihydroxy-10-(2-hydroxy-3-methylbut-3-en-1-yl)-7-methoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione
C27H33N3O6 (495.23692380000006)
n-{[(8e)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl](hydroxy)methyl}hexa-2,4-dienimidic acid
C29H37NO6 (495.26207420000003)
(2s,3as,6s,7as)-1-[(2r)-2-{[(2r)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-phenylpropanoyl]-6-hydroxy-octahydroindole-2-carboximidic acid
C27H33N3O6 (495.23692380000006)
5,13,18-trihydroxy-16-[(4-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
C29H37NO6 (495.26207420000003)
(4e)-n-[(s)-[(1s,2e,5s,14e,17s)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl](hydroxy)methyl]hexa-2,4-dienimidic acid
C29H37NO6 (495.26207420000003)
(8e,22e)-4,26-dimethoxy-2-oxa-11,15,20-triazatricyclo[22.3.1.1³,⁷]nonacosa-1(28),3(29),4,6,8,10,20,22,24,26-decaene-10,21,27-triol
C27H33N3O6 (495.23692380000006)
benzoyl heteratisine
C29H37NO6 (495.26207420000003)
{"Ingredient_id": "HBIN017817","Ingredient_name": "benzoyl heteratisine","Alias": "benzoylheteratisine","Ingredient_formula": "C29H37NO6","Ingredient_Smile": "CCN1CC2(CCC(C34C2C(C(C31)C5(CCC6CC4C5C(=O)O6)O)OC(=O)C7=CC=CC=C7)OC)C","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "24392;2243","TCMSP_id": "NA","TCM_ID_id": "6368","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,4e,6r,10r,12e,14r,15s,17r,18s,19s,20s)-20-benzyl-6,15,22-trihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one
C29H37NO6 (495.26207420000003)
7-(benzyloxy)-2-{[3-(benzyloxy)-4-methoxyphenyl]methyl}-6-methoxy-3,4-dihydro-1h-isoquinoline
(5r,9r,12as,13s,15s,15as,16s,18as)-5,13,18-trihydroxy-16-[(2-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
C29H37NO6 (495.26207420000003)
(1r,2s,12s,15s)-1,2-dihydroxy-10-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-7-methoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione
C27H33N3O6 (495.23692380000006)
(3s,3'r,4's,6's,9's)-3',4'-dihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione
C27H33N3O6 (495.23692380000006)
21,22-dihydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate
C29H37NO6 (495.26207420000003)
(2z,4e)-n-[(r)-[(1r,2e,5r,8e,10z,14e,17r)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl](hydroxy)methyl]hexa-2,4-dienimidic acid
C29H37NO6 (495.26207420000003)
20-benzyl-6,15,22-trihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one
C29H37NO6 (495.26207420000003)
(2s)-2-{[(2s)-1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-(4-hydroxyphenyl)propylidene]amino}-3-methyl-n-[(2s)-1-oxo-3-phenylpropan-2-yl]butanimidic acid
C28H37N3O5 (495.27330720000003)
(2e,4e,6e)-n-[(1s)-2-{[(2s)-1-[(3s,4s)-3,5-dihydroxy-4-methyl-2-oxo-4h-pyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid
C27H33N3O6 (495.23692380000006)
2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-(4-hydroxyphenyl)propylidene}amino)-3-methyl-n-(1-oxo-3-phenylpropan-2-yl)butanimidic acid
C28H37N3O5 (495.27330720000003)
(1s,6s,9s,10r,14r,17s,19s)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.1²,⁶.0¹,¹¹.0³,⁹.0¹⁴,¹⁸]icosan-19-yl benzoate
C29H37NO6 (495.26207420000003)
25,28-dimethoxy-2-oxa-11,15,20-triazatricyclo[22.2.2.1³,⁷]nonacosa-1(26),3(29),4,6,8,10,20,22,24,27-decaene-4,10,21-triol
C27H33N3O6 (495.23692380000006)
(5r,9r,12as,13s,15s,15as,16s,18as)-5,13,18-trihydroxy-16-[(4-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
C29H37NO6 (495.26207420000003)
(2z,4e)-n-[(s)-[(1s,2z,5s,8z,10z,14z,17s)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl](hydroxy)methyl]hexa-2,4-dienimidic acid
C29H37NO6 (495.26207420000003)
(2z,4e)-n-[(s)-[(1s,2e,5s,8e,10z,14e,17s)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl](hydroxy)methyl]hexa-2,4-dienimidic acid
C29H37NO6 (495.26207420000003)
3-[1,4,7,10-tetrahydroxy-6-isopropyl-13-oxo-3-(sec-butyl)-3h,6h,9h,12h,15h,16h,17h,17ah-pyrrolo[1,2-a]1,4,7,10,13-pentaazacyclopentadecan-9-yl]propanoic acid
25,26-dimethoxy-2-oxa-11,15,20-triazatricyclo[22.2.2.1³,⁷]nonacosa-1(26),3(29),4,6,8,10,20,22,24,27-decaene-4,10,21-triol
C27H33N3O6 (495.23692380000006)
(8e,22e)-25,28-dimethoxy-2-oxa-11,15,20-triazatricyclo[22.2.2.1³,⁷]nonacosa-1(26),3(29),4,6,8,10,20,22,24,27-decaene-4,10,21-triol
C27H33N3O6 (495.23692380000006)
n-(2-{[1-(3,5-dihydroxy-4-methyl-2-oxo-4h-pyrrol-3-yl)-3-methyl-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl)octa-2,4,6-trienimidic acid
C27H33N3O6 (495.23692380000006)
3-[(3s,6s,9s,17ar)-3-[(2s)-butan-2-yl]-1,4,7,10-tetrahydroxy-6-isopropyl-13-oxo-3h,6h,9h,12h,15h,16h,17h,17ah-pyrrolo[1,2-a]1,4,7,10,13-pentaazacyclopentadecan-9-yl]propanoic acid
1-(2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-phenylpropanoyl)-6-hydroxy-octahydroindole-2-carboximidic acid
C27H33N3O6 (495.23692380000006)
(5r,9r,12ar,13s,15s,15ar,16s,18as)-5,13,18-trihydroxy-16-[(2-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[3,2-d]isoindol-2-one
C29H37NO6 (495.26207420000003)
(8z,22e)-25,28-dimethoxy-2-oxa-11,15,20-triazatricyclo[22.2.2.1³,⁷]nonacosa-1(26),3(29),4,6,8,10,20,22,24,27-decaene-4,10,21-triol
C27H33N3O6 (495.23692380000006)
(2e,4e,6e)-n-[(1s)-2-{[(2s)-1-[(3r,4s)-3,5-dihydroxy-4-methyl-2-oxo-4h-pyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid
C27H33N3O6 (495.23692380000006)
(8e,22e)-25,26-dimethoxy-2-oxa-11,15,20-triazatricyclo[22.2.2.1³,⁷]nonacosa-1(26),3(29),4,6,8,10,20,22,24,27-decaene-4,10,21-triol
C27H33N3O6 (495.23692380000006)
(1s,14r,16r,20r,21s,22s)-21,22-dihydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate
C29H37NO6 (495.26207420000003)
(2s)-2-{[(2r)-1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-(4-hydroxyphenyl)propylidene]amino}-3-methyl-n-[(2r)-1-oxo-3-phenylpropan-2-yl]butanimidic acid
C28H37N3O5 (495.27330720000003)
3',4'-dihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione
C27H33N3O6 (495.23692380000006)