Exact Mass: 549.2083726000001
Exact Mass Matches: 549.2083726000001
Found 399 metabolites which its exact mass value is equals to given mass value 549.2083726000001
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Jadomycin B
A jadomycin that is jadomycin A in which the phenolic hydroxy group at position 12 has been converted to the corresponding 2,6-dideoxy-alpha-L-ribo-hexopyranoside, isolated from Streptomyces venezuelae. It exists as a diastereoisomeric mixture consisting of both 3aS and 3aR isomers.
N-(S-Nitroso-N-acetyl-D,L-penicillamine)-2-amino-2-deoxy-1,3,4,6-tetra-O-acetyl-beta-D-glucopyranose
Tripeptide
C24H35N7O8 (549.2546990000001)
Ubrogepant
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CD - Calcitonin gene-related peptide (cgrp) antagonists C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
3-Hydroxy-8b-ethyl ether-rocaglatic acid dimethylamide
(+)-(13R,19S)-1beta,11alpha-diacetoxy-2alpha-benzoyloxy-13,19-dihydroxyhetisan|(+)-(13S,19R)-1beta,11alpha-diacetoxy-2alpha-benzoyloxy-13,19-dihydroxyhetisan
Ala His His Trp
Ala His Trp His
Ala Trp His His
Cys Glu Ile Trp
Cys Glu Leu Trp
Cys Glu Trp Ile
Cys Glu Trp Leu
Cys His Lys Tyr
C24H35N7O6S (549.2369410000001)
Cys His Gln Tyr
Cys His Tyr Lys
C24H35N7O6S (549.2369410000001)
Cys His Tyr Gln
Cys Ile Glu Trp
Cys Ile Trp Glu
Cys Lys His Tyr
C24H35N7O6S (549.2369410000001)
Cys Lys Asn Trp
C24H35N7O6S (549.2369410000001)
Cys Lys Trp Asn
C24H35N7O6S (549.2369410000001)
Cys Lys Tyr His
C24H35N7O6S (549.2369410000001)
Cys Leu Glu Trp
Cys Leu Trp Glu
Cys Asn Lys Trp
C24H35N7O6S (549.2369410000001)
Cys Asn Gln Trp
Cys Asn Trp Lys
C24H35N7O6S (549.2369410000001)
Cys Asn Trp Gln
Cys Gln His Tyr
Cys Gln Asn Trp
Cys Gln Trp Asn
Cys Gln Tyr His
Cys Trp Glu Ile
Cys Trp Glu Leu
Cys Trp Ile Glu
Cys Trp Lys Asn
C24H35N7O6S (549.2369410000001)
Cys Trp Leu Glu
Cys Trp Asn Lys
C24H35N7O6S (549.2369410000001)
Cys Trp Asn Gln
Cys Trp Gln Asn
Cys Tyr His Lys
C24H35N7O6S (549.2369410000001)
Cys Tyr His Gln
Cys Tyr Lys His
C24H35N7O6S (549.2369410000001)
Cys Tyr Gln His
Asp Asp Asp Trp
C23H27N5O11 (549.1706992000001)
Asp Asp Trp Asp
C23H27N5O11 (549.1706992000001)
Asp Glu Met Arg
C20H35N7O9S (549.2216860000001)
Asp Glu Arg Met
C20H35N7O9S (549.2216860000001)
Asp Glu Thr Trp
Asp Glu Trp Thr
Asp Met Glu Arg
C20H35N7O9S (549.2216860000001)
Asp Met Arg Glu
C20H35N7O9S (549.2216860000001)
Asp Met Val Trp
Asp Met Trp Val
Asp Pro Arg Tyr
C24H35N7O8 (549.2546990000001)
Asp Pro Tyr Arg
C24H35N7O8 (549.2546990000001)
Asp Arg Glu Met
C20H35N7O9S (549.2216860000001)
Asp Arg Met Glu
C20H35N7O9S (549.2216860000001)
Asp Arg Pro Tyr
C24H35N7O8 (549.2546990000001)
Asp Arg Tyr Pro
C24H35N7O8 (549.2546990000001)
Asp Thr Glu Trp
Asp Thr Trp Glu
Asp Val Met Trp
Asp Val Trp Met
Asp Trp Asp Asp
C23H27N5O11 (549.1706992000001)
Asp Trp Glu Thr
Asp Trp Met Val
Asp Trp Thr Glu
Asp Trp Val Met
Asp Tyr Pro Arg
C24H35N7O8 (549.2546990000001)
Asp Tyr Arg Pro
C24H35N7O8 (549.2546990000001)
Glu Cys Ile Trp
Glu Cys Leu Trp
Glu Cys Trp Ile
Glu Cys Trp Leu
Glu Asp Met Arg
C20H35N7O9S (549.2216860000001)
Glu Asp Arg Met
C20H35N7O9S (549.2216860000001)
Glu Asp Thr Trp
Glu Asp Trp Thr
Glu Glu Ser Trp
Glu Glu Trp Ser
Glu His His Gln
Glu His Gln His
Glu Ile Cys Trp
Glu Ile Trp Cys
Glu Leu Cys Trp
Glu Leu Trp Cys
Glu Met Asp Arg
C20H35N7O9S (549.2216860000001)
Glu Met Arg Asp
C20H35N7O9S (549.2216860000001)
Glu Gln His His
Glu Arg Asp Met
C20H35N7O9S (549.2216860000001)
Glu Arg Met Asp
C20H35N7O9S (549.2216860000001)
Glu Ser Glu Trp
Glu Ser Trp Glu
Glu Thr Asp Trp
Glu Thr Trp Asp
Glu Trp Cys Ile
Glu Trp Cys Leu
Glu Trp Asp Thr
Glu Trp Glu Ser
Glu Trp Ile Cys
Glu Trp Leu Cys
Glu Trp Ser Glu
Glu Trp Thr Asp
Phe Gln Gln Gln
C24H35N7O8 (549.2546990000001)
His Ala His Trp
His Ala Trp His
His Cys Lys Tyr
C24H35N7O6S (549.2369410000001)
His Cys Gln Tyr
His Cys Tyr Lys
C24H35N7O6S (549.2369410000001)
His Cys Tyr Gln
His Glu His Gln
His Glu Gln His
His His Ala Trp
His His Glu Gln
His His Gln Glu
His His Trp Ala
His Lys Cys Tyr
C24H35N7O6S (549.2369410000001)
His Lys Tyr Cys
C24H35N7O6S (549.2369410000001)
His Gln Cys Tyr
His Gln Glu His
His Gln His Glu
His Gln Tyr Cys
His Trp Ala His
His Trp His Ala
His Tyr Cys Lys
C24H35N7O6S (549.2369410000001)
His Tyr Cys Gln
His Tyr Lys Cys
C24H35N7O6S (549.2369410000001)
His Tyr Gln Cys
Ile Cys Glu Trp
Ile Cys Trp Glu
Ile Glu Cys Trp
Ile Glu Trp Cys
Ile Trp Cys Glu
Ile Trp Glu Cys
Lys Cys His Tyr
C24H35N7O6S (549.2369410000001)
Lys Cys Asn Trp
C24H35N7O6S (549.2369410000001)
Lys Cys Trp Asn
C24H35N7O6S (549.2369410000001)
Lys Cys Tyr His
C24H35N7O6S (549.2369410000001)
Lys His Cys Tyr
C24H35N7O6S (549.2369410000001)
Lys His Tyr Cys
C24H35N7O6S (549.2369410000001)
Lys Asn Cys Trp
C24H35N7O6S (549.2369410000001)
Lys Asn Trp Cys
C24H35N7O6S (549.2369410000001)
Lys Trp Cys Asn
C24H35N7O6S (549.2369410000001)
Lys Trp Asn Cys
C24H35N7O6S (549.2369410000001)
Lys Tyr Cys His
C24H35N7O6S (549.2369410000001)
Lys Tyr His Cys
C24H35N7O6S (549.2369410000001)
Leu Cys Glu Trp
Leu Cys Trp Glu
Leu Glu Cys Trp
Leu Glu Trp Cys
Leu Trp Cys Glu
Leu Trp Glu Cys
Met Asp Glu Arg
C20H35N7O9S (549.2216860000001)
Met Asp Arg Glu
C20H35N7O9S (549.2216860000001)
Met Asp Val Trp
Met Asp Trp Val
Met Glu Asp Arg
C20H35N7O9S (549.2216860000001)
Met Glu Arg Asp
C20H35N7O9S (549.2216860000001)
Met Arg Asp Glu
C20H35N7O9S (549.2216860000001)
Met Arg Glu Asp
C20H35N7O9S (549.2216860000001)
Met Val Asp Trp
Met Val Trp Asp
Met Trp Asp Val
Met Trp Val Asp
Asn Cys Lys Trp
C24H35N7O6S (549.2369410000001)
Asn Cys Gln Trp
Asn Cys Trp Lys
C24H35N7O6S (549.2369410000001)
Asn Cys Trp Gln
Asn Lys Cys Trp
C24H35N7O6S (549.2369410000001)
Asn Lys Trp Cys
C24H35N7O6S (549.2369410000001)
Asn Gln Cys Trp
Asn Gln Trp Cys
Asn Trp Cys Lys
C24H35N7O6S (549.2369410000001)
Asn Trp Cys Gln
Asn Trp Lys Cys
C24H35N7O6S (549.2369410000001)
Asn Trp Gln Cys
Pro Asp Arg Tyr
C24H35N7O8 (549.2546990000001)
Pro Asp Tyr Arg
C24H35N7O8 (549.2546990000001)
Pro Arg Asp Tyr
C24H35N7O8 (549.2546990000001)
Pro Arg Tyr Asp
C24H35N7O8 (549.2546990000001)
Pro Tyr Asp Arg
C24H35N7O8 (549.2546990000001)
Pro Tyr Arg Asp
C24H35N7O8 (549.2546990000001)
Gln Cys His Tyr
Gln Cys Asn Trp
Gln Cys Trp Asn
Gln Cys Tyr His
Gln Glu His His
Gln Phe Gln Gln
C24H35N7O8 (549.2546990000001)
Gln His Cys Tyr
Gln His Glu His
Gln His His Glu
Gln His Tyr Cys
Gln Asn Cys Trp
Gln Asn Trp Cys
Gln Gln Phe Gln
C24H35N7O8 (549.2546990000001)
Gln Gln Gln Phe
C24H35N7O8 (549.2546990000001)
Gln Trp Cys Asn
Gln Trp Asn Cys
Gln Tyr Cys His
Gln Tyr His Cys
Arg Asp Glu Met
C20H35N7O9S (549.2216860000001)
Arg Asp Met Glu
C20H35N7O9S (549.2216860000001)
Arg Asp Pro Tyr
C24H35N7O8 (549.2546990000001)
Arg Asp Tyr Pro
C24H35N7O8 (549.2546990000001)
Arg Glu Asp Met
C20H35N7O9S (549.2216860000001)
Arg Glu Met Asp
C20H35N7O9S (549.2216860000001)
Arg Met Asp Glu
C20H35N7O9S (549.2216860000001)
Arg Met Glu Asp
C20H35N7O9S (549.2216860000001)
Arg Pro Asp Tyr
C24H35N7O8 (549.2546990000001)
Arg Pro Tyr Asp
C24H35N7O8 (549.2546990000001)
Arg Tyr Asp Pro
C24H35N7O8 (549.2546990000001)
Arg Tyr Pro Asp
C24H35N7O8 (549.2546990000001)
Ser Glu Glu Trp
Ser Glu Trp Glu
Ser Trp Glu Glu
Thr Asp Glu Trp
Thr Asp Trp Glu
Thr Glu Asp Trp
Thr Glu Trp Asp
Thr Trp Asp Glu
Thr Trp Glu Asp
Val Asp Met Trp
Val Asp Trp Met
Val Met Asp Trp
Val Met Trp Asp
Val Trp Asp Met
Val Trp Met Asp
Trp Ala His His
Trp Cys Glu Ile
Trp Cys Glu Leu
Trp Cys Ile Glu
Trp Cys Lys Asn
C24H35N7O6S (549.2369410000001)
Trp Cys Leu Glu
Trp Cys Asn Lys
C24H35N7O6S (549.2369410000001)
Trp Cys Asn Gln
Trp Cys Gln Asn
Trp Asp Asp Asp
C23H27N5O11 (549.1706992000001)
Trp Asp Glu Thr
Trp Asp Met Val
Trp Asp Thr Glu
Trp Asp Val Met
Trp Glu Cys Ile
Trp Glu Cys Leu
Trp Glu Asp Thr
Trp Glu Glu Ser
Trp Glu Ile Cys
Trp Glu Leu Cys
Trp Glu Ser Glu
Trp Glu Thr Asp
Trp His Ala His
Trp His His Ala
Trp Ile Cys Glu
Trp Ile Glu Cys
Trp Lys Cys Asn
C24H35N7O6S (549.2369410000001)
Trp Lys Asn Cys
C24H35N7O6S (549.2369410000001)
Trp Leu Cys Glu
Trp Leu Glu Cys
Trp Met Asp Val
Trp Met Val Asp
Trp Asn Cys Lys
C24H35N7O6S (549.2369410000001)
Trp Asn Cys Gln
Trp Asn Lys Cys
C24H35N7O6S (549.2369410000001)
Trp Asn Gln Cys
Trp Gln Cys Asn
Trp Gln Asn Cys
Trp Ser Glu Glu
Trp Thr Asp Glu
Trp Thr Glu Asp
Trp Val Asp Met
Trp Val Met Asp
Tyr Cys His Lys
C24H35N7O6S (549.2369410000001)
Tyr Cys His Gln
Tyr Cys Lys His
C24H35N7O6S (549.2369410000001)
Tyr Cys Gln His
Tyr Asp Pro Arg
C24H35N7O8 (549.2546990000001)
Tyr Asp Arg Pro
C24H35N7O8 (549.2546990000001)
Tyr His Cys Lys
C24H35N7O6S (549.2369410000001)
Tyr His Cys Gln
Tyr His Lys Cys
C24H35N7O6S (549.2369410000001)
Tyr His Gln Cys
Tyr Lys Cys His
C24H35N7O6S (549.2369410000001)
Tyr Lys His Cys
C24H35N7O6S (549.2369410000001)
Tyr Pro Asp Arg
C24H35N7O8 (549.2546990000001)
Tyr Pro Arg Asp
C24H35N7O8 (549.2546990000001)
Tyr Gln Cys His
Tyr Gln His Cys
Tyr Arg Asp Pro
C24H35N7O8 (549.2546990000001)
Tyr Arg Pro Asp
C24H35N7O8 (549.2546990000001)
disodium (Z)-[2-[(1-oxooctadec-9-enyl)amino]ethyl] 2-sulphonatosuccinate
TERT-BUTYL 4-(4-(6-AMINO-5-((R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY)PYRIDIN-3-YL)-1H-PYRAZOL-1-YL)PIPERIDINE-1-CARBOXYLATE
6N-Hydroxymethyl Tenofovir Disoproxil
C20H32N5O11P (549.1835851999999)
(2R,4R)-1-[(2S)-5-[[Imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid
[5-[(2-Acetamido-3-methyl-3-nitrososulfanylbutanoyl)amino]-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
Dibekacin sulfate
C18H39N5O12S (549.2315814000001)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
N-({4-[(1R)-4-[(2R,4S,5S)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-glutamic acid
C22H30F3N5O8 (549.2046376000001)
Ubrogepant
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CD - Calcitonin gene-related peptide (cgrp) antagonists C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
(1S)-1-[(2S)-butan-2-yl]-7-hydroxy-5-methyl-2,8,13-trioxo-1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridin-12-yl 2,6-dideoxy-alpha-L-ribo-hexopyranoside
(2S)-2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester
N-[(2R,4aS,12aS)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide
(2R)-2-[(4S,5R)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5S)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5S)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5R)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5R)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5S)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
2-[(1S,3S,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
C29H28FN3O7 (549.1911190000001)
2-[(1R,3R,4aS,9aR)-6-[(2-fluorophenyl)carbamoylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
C29H28FN3O7 (549.1911190000001)
2-[(1S,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
C29H28FN3O7 (549.1911190000001)
[(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone
C31H36FN3O3S (549.2461278000001)
[(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-piperidin-1-ylmethanone
C31H36FN3O3S (549.2461278000001)
N-[(2R,4aR,12aR)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide
N-[(2S,4aS,12aS)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]thiophene-2-carboxamide
N-[(2S,4aR,12aR)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide
(2R)-2-[(4S,5S)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5R)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
N-[(2S,4aR,12aS)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide
N-[(2R,4aS,12aR)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide
2-[(1R,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
C29H28FN3O7 (549.1911190000001)
2-[(1S,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
C29H28FN3O7 (549.1911190000001)
2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
C29H28FN3O7 (549.1911190000001)
[(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone
C31H36FN3O3S (549.2461278000001)
[(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone
C31H36FN3O3S (549.2461278000001)
N-[(2S,4aS,12aR)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide
N-[(2R,4aR,12aS)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide
7-Methyl-1-phenyl-4-trimethylsilyl-7-azobicyclo(2,2,1)heptane-N,N-diphenyl-2,3,5,6-tetracarboxodiimido
C32H31N3O4Si (549.2083726000001)
ERK1/2 inhibitor 1
ERK1/2 inhibitor 1 is a potent, orally bioavailable ERK1/2 inhibitor, showing 60\% inhibition at 1 nM and an IC50 of 3.0 nM against ERK1 and ERK2, respectively[1].
[(1r,2s,10r,12r,13s)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl propanoate
(3s)-19-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-9-methyl-3-(sec-butyl)-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione
16-chloro-3-ethyl-1,4,7,11-tetrahydroxy-13-(1-hydroxyethyl)-6-(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one
C25H32ClN5O7 (549.1990152000001)
2,3-dihydroxy-n-(4-hydroxybutyl)-10,12-dimethoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid
(3r)-3-butyl-19-{[(2s,5r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione
24-ethyl-3,7,10,28-tetrahydroxy-14-methoxy-25-methyl-12,18,20-trioxa-25-azaheptacyclo[15.11.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²¹,²⁹.0²²,²⁷]nonacosa-1(29),2(15),3,6(11),13,21,23,27-octaene-5,26-dione
C29H27NO10 (549.1634882000001)
(2s,3r,4r,5s,6r)-2,3-dihydroxy-n-(4-hydroxybutyl)-10,12-dimethoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid
astin E
C25H32ClN5O7 (549.1990152000001)
{"Ingredient_id": "HBIN017205","Ingredient_name": "astin E","Alias": "astin e","Ingredient_formula": "C25H32ClN5O7","Ingredient_Smile": "CCC1C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)N2C(CC=C2Cl)C(=O)N1)C(C)O)C3=CC=CC=C3)CO","Ingredient_weight": "550","OB_score": "26.33722415","CAS_id": "153125-16-7","SymMap_id": "SMIT11508;SMIT14404","TCMID_id": "1933","TCMSP_id": "MOL010457","TCM_ID_id": "6547","PubChem_id": "NA","DrugBank_id": "NA"}
astin h
C25H32ClN5O7 (549.1990152000001)
{"Ingredient_id": "HBIN017206","Ingredient_name": "astin h","Alias": "NA","Ingredient_formula": "C25H32ClN5O7","Ingredient_Smile": "NA","Ingredient_weight": "550","OB_score": "NA","CAS_id": "159396-51-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6546","PubChem_id": "NA","DrugBank_id": "NA"}
(9r,10z,12r,13r,16z,18r,25r)-9-ethyl-4,12,25-trihydroxy-3,16-dimethyl-13-(2-methylprop-1-en-1-yl)-14-oxa-20-azatetracyclo[16.6.1.0⁵,²⁴.0²¹,²⁵]pentacosa-1(24),2,4,10,16,21-hexaene-6,15,19,23-tetrone
(2s,3s,6s)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl (3r)-3-hydroxy-3-(2-phenylethyl)butanedioate
(8r,9z,11s,14z,16s,23r)-8-ethyl-4,23-dihydroxy-11-[(1s)-1-hydroxy-3-methylbut-2-en-1-yl]-3,14-dimethyl-13,17,21-trioxo-12-oxa-18-azatetracyclo[14.6.1.0⁵,²².0¹⁹,²³]tricosa-1(22),2,4,9,14,19-hexaene-6-carbaldehyde
(3s,6s,9r,13s,18as)-16-chloro-13-ethyl-1,4,7,11-tetrahydroxy-3-[(1s)-1-hydroxyethyl]-6-(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one
C25H32ClN5O7 (549.1990152000001)
(7r,10s,17s)-24-ethyl-3,7,10,28-tetrahydroxy-14-methoxy-25-methyl-12,18,20-trioxa-25-azaheptacyclo[15.11.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²¹,²⁹.0²²,²⁷]nonacosa-1(29),2(15),3,6(11),13,21,23,27-octaene-5,26-dione
C29H27NO10 (549.1634882000001)
(9r,10z,12s,13s,16s)-9-ethyl-4,12,19,23,25-pentahydroxy-3,16-dimethyl-13-(2-methylprop-1-en-1-yl)-14-oxa-20-azatetracyclo[19.3.1.0⁵,²⁴.0¹⁶,²²]pentacosa-1,3,5(24),10,17,19,21(25),22-octaene-6,15-dione
n-[(2s,3r,4s,5r,6r)-2-{5-ethenyl-15-hydroxy-3,17-dimethoxy-8-oxo-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-12-yl}-3,5-dihydroxy-6-methyloxan-4-yl]-n-methylacetamide
(3s,6s,9r,13s,18as)-16-chloro-3-ethyl-1,4,7,11-tetrahydroxy-13-[(1s)-1-hydroxyethyl]-6-(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one
C25H32ClN5O7 (549.1990152000001)
n-(2-{5-ethenyl-15-hydroxy-3,17-dimethoxy-8-oxo-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-12-yl}-3,5-dihydroxy-6-methyloxan-4-yl)-n-methylacetamide
10-benzyl-8,11,14-trihydroxy-13-(1h-indol-3-ylmethyl)-3,9,12,15-tetraazatricyclo[14.4.0.0³,⁷]icosa-1(20),8,11,14,16,18-hexaen-2-one
(2s,3r,4r,5s,6r)-3-(acetyloxy)-2-hydroxy-6-(3-hydroxy-4-methoxyphenyl)-10,12-dimethoxy-n-methyl-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid
(3s,6s)-3-[(2s)-butan-2-yl]-19-{[(2s,4r,5r,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione
(2s,3s,4s,5s,6r)-3-(acetyloxy)-2-hydroxy-6-(3-hydroxy-4-methoxyphenyl)-10,12-dimethoxy-n-methyl-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid
(2s,3s,6r)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl (3r)-3-hydroxy-3-(2-phenylethyl)butanedioate
(9r,10e,12r,13r,18r,25r)-9-ethyl-4,12,25-trihydroxy-3,16-dimethyl-13-(2-methylprop-1-en-1-yl)-14-oxa-20-azatetracyclo[16.6.1.0⁵,²⁴.0²¹,²⁵]pentacosa-1(24),2,4,10,16,21-hexaene-6,15,19,23-tetrone
19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-3-(sec-butyl)-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione
(9r,10e,12s,13s,16r)-9-ethyl-4,12,19-trihydroxy-3,16-dimethyl-13-(2-methylpropyl)-14-oxa-20-azatetracyclo[19.3.1.0⁵,²⁴.0¹⁶,²²]pentacosa-1(24),2,4,10,17,19,21-heptaene-6,15,23,25-tetrone
(3s,6s)-3-[(2s)-butan-2-yl]-19-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione
13-{[1-hydroxy-3-methyl-2-(methylamino)pentylidene]amino}-9-(c-hydroxycarbonimidoyloxy)-14-(4-hydroxyphenyl)-12-oxo-1,11-diazatetracyclo[6.6.1.0²,⁷.0¹¹,¹⁵]pentadeca-2,4,6,13-tetraene-10-carboxylic acid
3-(acetyloxy)-2-hydroxy-6-(3-hydroxy-4-methoxyphenyl)-10,12-dimethoxy-n-methyl-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid
(3s)-3-[(2s)-butan-2-yl]-19-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione
(8r,9s,10s,15r)-13-{[(2s,3s)-1-hydroxy-3-methyl-2-(methylamino)pentylidene]amino}-9-(c-hydroxycarbonimidoyloxy)-14-(4-hydroxyphenyl)-12-oxo-1,11-diazatetracyclo[6.6.1.0²,⁷.0¹¹,¹⁵]pentadeca-2,4,6,13-tetraene-10-carboxylic acid
14-(3,4-dimethoxyphenyl)-10,11-dihydroxy-8-methoxy-n,n-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadeca-1,3(7),8-triene-12-carboxamide
4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl 3-hydroxy-3-(2-phenylethyl)butanedioate
16-chloro-13-ethyl-1,4,7,11-tetrahydroxy-3-(1-hydroxyethyl)-6-(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one
C25H32ClN5O7 (549.1990152000001)