Exact Mass: 561.225708
Exact Mass Matches: 561.225708
Found 500 metabolites which its exact mass value is equals to given mass value 561.225708
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
N-Dealkylated derivative
N-[(2S)-1-[[(E,3S)-1-(Benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
5,9-Diepimer, N-Me,O3-de-Me,O3-beta-D-glucopyranoside-beta-Lumicolchicine
(-)-rel-(2R,3S,4R,5R,10S,2S)-1-[2,3,4,5-tetrahydro-5,10-dihydroxy-2-(4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,5-methano-1-benzoxepin-4-carbonyl]-2-methoxypyrrolidine|ponapensin
(7bS)-7c-(Acetyl-methyl-amino)-2-beta-D-glucopyranosyloxy-1,3,9-trimethoxy-(7br,10ac)-6,7,7b,10a-tetrahydro-5H-benzo[a]cyclopenta[3,4]cyclbuta[1,2-c]cyclohepten-8-on|(7bS)-7c-(acetyl-methyl-amino)-2-beta-D-glucopyranosyloxy-1,3,9-trimethoxy-(7br,10ac)-6,7,7b,10a-tetrahydro-5H-benzo[a]cyclopenta[3,4]cyclobuta[1,2-c]cyclohepten-8-one
His Asp Tyr Lys
C25H35N7O8 (561.2546990000001)
His Tyr Gln Asp
Cys Phe His Arg
C24H35N9O5S (561.2481740000001)
Cys Phe Arg His
C24H35N9O5S (561.2481740000001)
Cys His Phe Arg
C24H35N9O5S (561.2481740000001)
Cys His Arg Phe
C24H35N9O5S (561.2481740000001)
Cys Asn Tyr Tyr
C25H31N5O8S (561.1893246000001)
Cys Arg Phe His
C24H35N9O5S (561.2481740000001)
Cys Arg His Phe
C24H35N9O5S (561.2481740000001)
Cys Tyr Asn Tyr
C25H31N5O8S (561.1893246000001)
Cys Tyr Tyr Asn
C25H31N5O8S (561.1893246000001)
Asp Glu Ile Trp
Asp Glu Leu Trp
Asp Glu Trp Ile
Asp Glu Trp Leu
Asp His Lys Tyr
C25H35N7O8 (561.2546990000001)
Asp His Gln Tyr
Asp His Tyr Lys
C25H35N7O8 (561.2546990000001)
Asp His Tyr Gln
Asp Ile Glu Trp
Asp Ile Trp Glu
Asp Lys His Tyr
C25H35N7O8 (561.2546990000001)
Asp Lys Asn Trp
C25H35N7O8 (561.2546990000001)
Asp Lys Trp Asn
C25H35N7O8 (561.2546990000001)
Asp Lys Tyr His
C25H35N7O8 (561.2546990000001)
Asp Leu Glu Trp
Asp Leu Trp Glu
Asp Asn Lys Trp
C25H35N7O8 (561.2546990000001)
Asp Asn Gln Trp
Asp Asn Trp Lys
C25H35N7O8 (561.2546990000001)
Asp Asn Trp Gln
Asp Gln His Tyr
Asp Gln Asn Trp
Asp Gln Trp Asn
Asp Gln Tyr His
Asp Trp Glu Ile
Asp Trp Glu Leu
Asp Trp Ile Glu
Asp Trp Lys Asn
C25H35N7O8 (561.2546990000001)
Asp Trp Leu Glu
Asp Trp Asn Lys
C25H35N7O8 (561.2546990000001)
Asp Trp Asn Gln
Asp Trp Gln Asn
Asp Tyr His Lys
C25H35N7O8 (561.2546990000001)
Asp Tyr His Gln
Asp Tyr Lys His
C25H35N7O8 (561.2546990000001)
Asp Tyr Gln His
Glu Asp Ile Trp
Glu Asp Leu Trp
Glu Asp Trp Ile
Glu Asp Trp Leu
Glu Glu Glu Arg
Glu Glu Arg Glu
Glu Glu Val Trp
Glu Glu Trp Val
Glu His Asn Tyr
Glu His Tyr Asn
Glu Ile Asp Trp
Glu Ile Trp Asp
Glu Leu Asp Trp
Glu Leu Trp Asp
Glu Met Pro Trp
Glu Met Trp Pro
Glu Asn His Tyr
Glu Asn Asn Trp
Glu Asn Trp Asn
Glu Asn Tyr His
Glu Pro Met Trp
Glu Pro Trp Met
Glu Arg Glu Glu
Glu Val Glu Trp
Glu Val Trp Glu
Glu Trp Asp Ile
Glu Trp Asp Leu
Glu Trp Glu Val
Glu Trp Ile Asp
Glu Trp Leu Asp
Glu Trp Met Pro
Glu Trp Asn Asn
Glu Trp Pro Met
Glu Trp Val Glu
Glu Tyr His Asn
Glu Tyr Asn His
Phe Cys His Arg
C24H35N9O5S (561.2481740000001)
Phe Cys Arg His
C24H35N9O5S (561.2481740000001)
Phe His Cys Arg
C24H35N9O5S (561.2481740000001)
Phe His Met Gln
C25H35N7O6S (561.2369410000001)
Phe His Gln Met
C25H35N7O6S (561.2369410000001)
Phe His Arg Cys
C24H35N9O5S (561.2481740000001)
Phe Met His Gln
C25H35N7O6S (561.2369410000001)
Phe Met Gln His
C25H35N7O6S (561.2369410000001)
Phe Gln His Met
C25H35N7O6S (561.2369410000001)
Phe Gln Met His
C25H35N7O6S (561.2369410000001)
Phe Arg Cys His
C24H35N9O5S (561.2481740000001)
Phe Arg His Cys
C24H35N9O5S (561.2481740000001)
Gly His Trp Tyr
Gly His Tyr Trp
Gly Asn Trp Trp
Gly Trp His Tyr
Gly Trp Asn Trp
Gly Trp Trp Asn
Gly Trp Tyr His
Gly Tyr His Trp
Gly Tyr Trp His
His Cys Phe Arg
C24H35N9O5S (561.2481740000001)
His Cys Arg Phe
C24H35N9O5S (561.2481740000001)
His Asp Lys Tyr
C25H35N7O8 (561.2546990000001)
His Asp Gln Tyr
His Asp Tyr Gln
His Glu Asn Tyr
His Glu Tyr Asn
His Phe Cys Arg
C24H35N9O5S (561.2481740000001)
His Phe Met Gln
C25H35N7O6S (561.2369410000001)
His Phe Gln Met
C25H35N7O6S (561.2369410000001)
His Phe Arg Cys
C24H35N9O5S (561.2481740000001)
His Gly Trp Tyr
His Gly Tyr Trp
His Lys Asp Tyr
C25H35N7O8 (561.2546990000001)
His Lys Tyr Asp
C25H35N7O8 (561.2546990000001)
His Met Phe Gln
C25H35N7O6S (561.2369410000001)
His Met Gln Phe
C25H35N7O6S (561.2369410000001)
His Asn Glu Tyr
His Asn Tyr Glu
His Gln Asp Tyr
His Gln Phe Met
C25H35N7O6S (561.2369410000001)
His Gln Met Phe
C25H35N7O6S (561.2369410000001)
His Gln Tyr Asp
His Arg Cys Phe
C24H35N9O5S (561.2481740000001)
His Arg Phe Cys
C24H35N9O5S (561.2481740000001)
His Arg Ser Tyr
His Arg Tyr Ser
His Ser Arg Tyr
His Ser Tyr Arg
His Trp Gly Tyr
His Trp Tyr Gly
His Tyr Asp Lys
C25H35N7O8 (561.2546990000001)
His Tyr Asp Gln
His Tyr Glu Asn
His Tyr Gly Trp
His Tyr Lys Asp
C25H35N7O8 (561.2546990000001)
His Tyr Asn Glu
His Tyr Arg Ser
His Tyr Ser Arg
His Tyr Trp Gly
Ile Asp Glu Trp
Ile Asp Trp Glu
Ile Glu Asp Trp
Ile Glu Trp Asp
Ile Trp Asp Glu
Ile Trp Glu Asp
Lys Asp His Tyr
C25H35N7O8 (561.2546990000001)
Lys Asp Asn Trp
C25H35N7O8 (561.2546990000001)
Lys Asp Trp Asn
C25H35N7O8 (561.2546990000001)
Lys Asp Tyr His
C25H35N7O8 (561.2546990000001)
Lys His Asp Tyr
C25H35N7O8 (561.2546990000001)
Lys His Tyr Asp
C25H35N7O8 (561.2546990000001)
Lys Asn Asp Trp
C25H35N7O8 (561.2546990000001)
Lys Asn Trp Asp
C25H35N7O8 (561.2546990000001)
Lys Trp Asp Asn
C25H35N7O8 (561.2546990000001)
Lys Trp Asn Asp
C25H35N7O8 (561.2546990000001)
Lys Tyr Asp His
C25H35N7O8 (561.2546990000001)
Lys Tyr His Asp
C25H35N7O8 (561.2546990000001)
Leu Asp Glu Trp
Leu Asp Trp Glu
Leu Glu Asp Trp
Leu Glu Trp Asp
Leu Trp Asp Glu
Leu Trp Glu Asp
Met Glu Pro Trp
Met Glu Trp Pro
Met Phe His Gln
C25H35N7O6S (561.2369410000001)
Met Phe Gln His
C25H35N7O6S (561.2369410000001)
Met His Phe Gln
C25H35N7O6S (561.2369410000001)
Met His Gln Phe
C25H35N7O6S (561.2369410000001)
Met Pro Glu Trp
Met Pro Trp Glu
Met Gln Phe His
C25H35N7O6S (561.2369410000001)
Met Gln His Phe
C25H35N7O6S (561.2369410000001)
Met Trp Glu Pro
Met Trp Pro Glu
Asn Cys Tyr Tyr
C25H31N5O8S (561.1893246000001)
Asn Asp Lys Trp
C25H35N7O8 (561.2546990000001)
Asn Asp Gln Trp
Asn Asp Trp Lys
C25H35N7O8 (561.2546990000001)
Asn Asp Trp Gln
Asn Glu His Tyr
Asn Glu Asn Trp
Asn Glu Trp Asn
Asn Glu Tyr His
Asn Gly Trp Trp
Asn His Glu Tyr
Asn His Tyr Glu
Asn Lys Asp Trp
C25H35N7O8 (561.2546990000001)
Asn Lys Trp Asp
C25H35N7O8 (561.2546990000001)
Asn Asn Glu Trp
Asn Asn Trp Glu
Asn Gln Asp Trp
Asn Gln Trp Asp
Asn Arg Ser Trp
Asn Arg Trp Ser
Asn Ser Arg Trp
Asn Ser Trp Arg
Asn Trp Asp Lys
C25H35N7O8 (561.2546990000001)
Asn Trp Asp Gln
Asn Trp Glu Asn
Asn Trp Gly Trp
Asn Trp Lys Asp
C25H35N7O8 (561.2546990000001)
Asn Trp Asn Glu
Asn Trp Gln Asp
Asn Trp Arg Ser
Asn Trp Ser Arg
Asn Trp Trp Gly
Asn Tyr Cys Tyr
C25H31N5O8S (561.1893246000001)
Asn Tyr Glu His
Asn Tyr His Glu
Asn Tyr Tyr Cys
C25H31N5O8S (561.1893246000001)
Pro Glu Met Trp
Pro Glu Trp Met
Pro Met Glu Trp
Pro Met Trp Glu
Pro Pro Trp Tyr
Pro Pro Tyr Trp
Pro Trp Glu Met
Pro Trp Met Glu
Pro Trp Pro Tyr
Pro Trp Tyr Pro
Pro Tyr Pro Trp
Pro Tyr Trp Pro
Gln Asp His Tyr
Gln Asp Asn Trp
Gln Asp Trp Asn
Gln Asp Tyr His
Gln Phe His Met
C25H35N7O6S (561.2369410000001)
Gln Phe Met His
C25H35N7O6S (561.2369410000001)
Gln His Asp Tyr
Gln His Phe Met
C25H35N7O6S (561.2369410000001)
Gln His Met Phe
C25H35N7O6S (561.2369410000001)
Gln His Tyr Asp
Gln Met Phe His
C25H35N7O6S (561.2369410000001)
Gln Met His Phe
C25H35N7O6S (561.2369410000001)
Gln Asn Asp Trp
Gln Asn Trp Asp
Gln Gln Thr Trp
C25H35N7O8 (561.2546990000001)
Gln Gln Trp Thr
C25H35N7O8 (561.2546990000001)
Gln Thr Gln Trp
C25H35N7O8 (561.2546990000001)
Gln Thr Trp Gln
C25H35N7O8 (561.2546990000001)
Gln Trp Asp Asn
Gln Trp Asn Asp
Gln Trp Gln Thr
C25H35N7O8 (561.2546990000001)
Gln Trp Thr Gln
C25H35N7O8 (561.2546990000001)
Gln Tyr Asp His
Gln Tyr His Asp
Arg Cys Phe His
C24H35N9O5S (561.2481740000001)
Arg Cys His Phe
C24H35N9O5S (561.2481740000001)
Arg Glu Glu Glu
Arg Phe Cys His
C24H35N9O5S (561.2481740000001)
Arg Phe His Cys
C24H35N9O5S (561.2481740000001)
Arg His Cys Phe
C24H35N9O5S (561.2481740000001)
Arg His Phe Cys
C24H35N9O5S (561.2481740000001)
Arg His Ser Tyr
Arg His Tyr Ser
Arg Asn Ser Trp
Arg Asn Trp Ser
Arg Ser His Tyr
Arg Ser Asn Trp
Arg Ser Trp Asn
Arg Ser Tyr His
Arg Trp Asn Ser
Arg Trp Ser Asn
Arg Tyr His Ser
Arg Tyr Ser His
Ser His Arg Tyr
Ser His Tyr Arg
Ser Asn Arg Trp
Ser Asn Trp Arg
Ser Arg His Tyr
Ser Arg Asn Trp
Ser Arg Trp Asn
Ser Arg Tyr His
Ser Trp Asn Arg
Ser Trp Arg Asn
Thr Gln Gln Trp
C25H35N7O8 (561.2546990000001)
Thr Gln Trp Gln
C25H35N7O8 (561.2546990000001)
Thr Trp Gln Gln
C25H35N7O8 (561.2546990000001)
Val Glu Glu Trp
Val Glu Trp Glu
Val Trp Glu Glu
Trp Asp Glu Ile
Trp Asp Glu Leu
Trp Asp Ile Glu
Trp Asp Lys Asn
C25H35N7O8 (561.2546990000001)
Trp Asp Leu Glu
Trp Asp Asn Lys
C25H35N7O8 (561.2546990000001)
Trp Asp Asn Gln
Trp Asp Gln Asn
Trp Glu Asp Ile
Trp Glu Asp Leu
Trp Glu Glu Val
Trp Glu Ile Asp
Trp Glu Leu Asp
Trp Glu Met Pro
Trp Glu Asn Asn
Trp Glu Pro Met
Trp Glu Val Glu
Trp Gly His Tyr
Trp Gly Asn Trp
Trp Gly Trp Asn
Trp Gly Tyr His
Trp His Gly Tyr
Trp His Tyr Gly
Trp Ile Asp Glu
Trp Ile Glu Asp
Trp Lys Asp Asn
C25H35N7O8 (561.2546990000001)
Trp Lys Asn Asp
C25H35N7O8 (561.2546990000001)
Trp Leu Asp Glu
Trp Leu Glu Asp
Trp Met Glu Pro
Trp Met Pro Glu
Trp Asn Asp Lys
C25H35N7O8 (561.2546990000001)
Trp Asn Asp Gln
Trp Asn Glu Asn
Trp Asn Gly Trp
Trp Asn Lys Asp
C25H35N7O8 (561.2546990000001)
Trp Asn Asn Glu
Trp Asn Gln Asp
Trp Asn Trp Gly
Trp Pro Glu Met
Trp Pro Met Glu
Trp Pro Pro Tyr
Trp Pro Tyr Pro
Trp Gln Asp Asn
Trp Gln Asn Asp
Trp Gln Gln Thr
C25H35N7O8 (561.2546990000001)
Trp Gln Thr Gln
C25H35N7O8 (561.2546990000001)
Trp Thr Gln Gln
C25H35N7O8 (561.2546990000001)
Trp Val Glu Glu
Trp Trp Gly Asn
Trp Trp Asn Gly
Trp Tyr Gly His
Trp Tyr His Gly
Trp Tyr Pro Pro
Tyr Cys Asn Tyr
C25H31N5O8S (561.1893246000001)
Tyr Cys Tyr Asn
C25H31N5O8S (561.1893246000001)
Tyr Asp His Lys
C25H35N7O8 (561.2546990000001)
Tyr Asp His Gln
Tyr Asp Lys His
C25H35N7O8 (561.2546990000001)
Tyr Asp Gln His
Tyr Glu His Asn
Tyr Glu Asn His
Tyr Gly His Trp
Tyr Gly Trp His
Tyr His Asp Lys
C25H35N7O8 (561.2546990000001)
Tyr His Asp Gln
Tyr His Glu Asn
Tyr His Gly Trp
Tyr His Lys Asp
C25H35N7O8 (561.2546990000001)
Tyr His Asn Glu
Tyr His Gln Asp
Tyr His Trp Gly
Tyr Lys Asp His
C25H35N7O8 (561.2546990000001)
Tyr Lys His Asp
C25H35N7O8 (561.2546990000001)
Tyr Asn Cys Tyr
C25H31N5O8S (561.1893246000001)
Tyr Asn Glu His
Tyr Asn His Glu
Tyr Asn Tyr Cys
C25H31N5O8S (561.1893246000001)
Tyr Pro Pro Trp
Tyr Pro Trp Pro
Tyr Gln Asp His
Tyr Gln His Asp
Tyr Trp Gly His
Tyr Trp His Gly
Tyr Trp Pro Pro
Tyr Tyr Cys Asn
C25H31N5O8S (561.1893246000001)
Tyr Tyr Asn Cys
C25H31N5O8S (561.1893246000001)
ethyl 2-[1-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxylate
(2S,3R,4S,5R)-6-Chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro(indole-3,3-pyrrolidine)-5-carboxamide
C274 - Antineoplastic Agent > C129839 - Apoptotic Pathway-targeting Antineoplastic Agent > C162996 - MDM2 Inhibitor
Taurolithocholic acid sulfate(2-)
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
[(2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3-hydroxyoxan-4-yl] dihydrogen phosphate
C19H40N5O12P (561.2410970000001)
N-[(2S)-1-[[(E,3S)-1-(Benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
N-[(4R,7R,8S)-5-(1,3-benzodioxole-5-carbonyl)-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
C27H35N3O8S (561.2144750000001)
N-[(4S,7R,8R)-5-[1,3-benzodioxol-5-yl(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
C27H35N3O8S (561.2144750000001)
N-[(4S,7S,8S)-5-(1,3-benzodioxole-5-carbonyl)-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
C27H35N3O8S (561.2144750000001)
N-[(5S,6R,9R)-8-(2-fluorobenzoyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide
2-[(2S,4aR,12aS)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,4aS,12aS)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,4aR,12aS)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
N-[(4R,7S,8S)-5-(1,3-benzodioxole-5-carbonyl)-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
C27H35N3O8S (561.2144750000001)
N-[(5R,6R,9S)-8-(2-fluorobenzoyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide
N-[(5S,6S,9R)-8-(2-fluorobenzoyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide
N-[(5S,6S,9S)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide
2-[(2S,4aS,12aR)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,4aS,12aR)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,4aR,12aR)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
1-(1,3-benzodioxol-5-yl)-3-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
1-(1,3-benzodioxol-5-yl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
1-(1,3-benzodioxol-5-yl)-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
N-[(4R,7S,8R)-5-[1,3-benzodioxol-5-yl(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
C27H35N3O8S (561.2144750000001)
N-[(4S,7S,8R)-5-[1,3-benzodioxol-5-yl(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
C27H35N3O8S (561.2144750000001)
N-[(5R,6R,9R)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide
N-[(5S,6R,9S)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide
N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide
C24H34F3N5O5S (561.2232630000001)
N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide
C24H34F3N5O5S (561.2232630000001)
N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide
C24H34F3N5O5S (561.2232630000001)
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
(1R)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide
1-(1,3-benzodioxol-5-yl)-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
1-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
1-(1,3-benzodioxol-5-yl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
1-(1,3-benzodioxol-5-yl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
1-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
1-(1,3-benzodioxol-5-yl)-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
1-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
N-[(4S,7R,8S)-5-[1,3-benzodioxol-5-yl(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
C27H35N3O8S (561.2144750000001)
N-[(5R,6S,9R)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide
N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide
C24H34F3N5O5S (561.2232630000001)
N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide
C24H34F3N5O5S (561.2232630000001)
N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide
C24H34F3N5O5S (561.2232630000001)
N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide
C24H34F3N5O5S (561.2232630000001)
N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide
C24H34F3N5O5S (561.2232630000001)
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
2-[(2S,4aR,12aR)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,4aS,12aS)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-(2,2,2-trifluoroethylsulfonylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclohexylmethyl)acetamide
C25H34F3N3O6S (561.2120300000001)
(1S)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide
2-aminoethyl beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranuronosyl-(1->4)-beta-D-glucopyranoside
C20H35NO17 (561.1904900000001)
Aerobactinate(3-)
A tricarboxylate arising from deprotonation of the three carboxylic acid groups of aerobactin; major species at pH 7.3.
Taurolithocholic acid sulfate(2-)
A steroid sulfate oxoanion arising from deprotonation of both sulfo groups of taurolithocholic acid sulfate; major species at pH 7.3.
Arg-Gly-Glu-Ser (TFA)
Arg-Gly-Glu-Ser TFA is a RGD-related peptide and a control for the RGDS ihibitory activity on fibrinogen binding to activated platelets.
MI-773
MI-773 is a potent MDM2-p53 protein‐protein interaction (PPI) inhibitor with high binding affinity against MDM2 (Kd=8.2 nM). MI-773 has antitumor activity[1][2].