Exact Mass: 561.2661134
Exact Mass Matches: 561.2661134
Found 500 metabolites which its exact mass value is equals to given mass value 561.2661134
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dapitant
Ergocornine
8-Epimer-Beta-Ergoptine|8-Epimer-betabeta-Ergoptine|Beta-Ergoptine|betabeta-Ergoptine
(32S,6S)-6-benzyl-31-[N-(N-methyl-L-alanyl)-L-valyl]-(32rH,33tH)-2-oxa-5,8-diaza-1(1,4)-benzena-3(3,2)-pyrrolidina-cyclodecaphan-9c-ene-4,7-dione|Mauritin-F|Mauritine F|mauritine-F
His Asp Tyr Lys
C25H35N7O8 (561.2546990000001)
Ergocornine
Ergotaman bearing a hydroxy group at the 12 position, isopropyl groups at the 2 and 5alpha positions, and oxo groups at positions 3, 6, and 18. It is a natural ergot alkaloid. CONFIDENCE Reference Standard (Level 1) relative retention time with respect to 9-anthracene Carboxylic Acid is 1.024 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.021 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.019 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.017
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 Gln Arg Arg
Cys Arg Phe His
C24H35N9O5S (561.2481740000001)
Cys Arg His Phe
C24H35N9O5S (561.2481740000001)
Cys Arg Gln Arg
Cys Arg Arg Gln
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 Tyr Lys
C25H35N7O8 (561.2546990000001)
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 Trp Lys
C25H35N7O8 (561.2546990000001)
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 Tyr His Lys
C25H35N7O8 (561.2546990000001)
Asp Tyr Lys His
C25H35N7O8 (561.2546990000001)
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 Ile Asp Trp
Glu Ile Trp Asp
Glu Leu Asp Trp
Glu Leu Trp Asp
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 Val Glu
Phe Cys His Arg
C24H35N9O5S (561.2481740000001)
Phe Cys Arg His
C24H35N9O5S (561.2481740000001)
Phe His Cys Arg
C24H35N9O5S (561.2481740000001)
Phe His Lys Met
Phe His Met Lys
Phe His Arg Cys
C24H35N9O5S (561.2481740000001)
Phe Ile Pro Trp
Phe Ile Trp Pro
Phe Lys His Met
Phe Lys Met His
Phe Leu Pro Trp
Phe Leu Trp Pro
Phe Met His Lys
Phe Met Lys His
Phe Pro Ile Trp
Phe Pro Leu Trp
Phe Pro Trp Ile
Phe Pro Trp Leu
Phe Arg Cys His
C24H35N9O5S (561.2481740000001)
Phe Arg His Cys
C24H35N9O5S (561.2481740000001)
Phe Trp Ile Pro
Phe Trp Leu Pro
Phe Trp Pro Ile
Phe Trp Pro Leu
His Cys Phe Arg
C24H35N9O5S (561.2481740000001)
His Cys Arg Phe
C24H35N9O5S (561.2481740000001)
His Asp Lys Tyr
C25H35N7O8 (561.2546990000001)
His Phe Cys Arg
C24H35N9O5S (561.2481740000001)
His Phe Lys Met
His Phe Met Lys
His Phe Arg Cys
C24H35N9O5S (561.2481740000001)
His Lys Asp Tyr
C25H35N7O8 (561.2546990000001)
His Lys Phe Met
His Lys Met Phe
His Lys Tyr Asp
C25H35N7O8 (561.2546990000001)
His Met Phe Lys
His Met Lys Phe
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 Tyr Asp Lys
C25H35N7O8 (561.2546990000001)
His Tyr Lys Asp
C25H35N7O8 (561.2546990000001)
His Tyr Arg Ser
His Tyr Ser Arg
Ile Asp Glu Trp
Ile Asp Trp Glu
Ile Glu Asp Trp
Ile Glu Trp Asp
Ile Phe Pro Trp
Ile Phe Trp Pro
Ile Pro Phe Trp
Ile Pro Trp Phe
Ile Trp Asp Glu
Ile Trp Glu Asp
Ile Trp Phe Pro
Ile Trp Pro Phe
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 Phe His Met
Lys Phe Met His
Lys His Asp Tyr
C25H35N7O8 (561.2546990000001)
Lys His Phe Met
Lys His Met Phe
Lys His Tyr Asp
C25H35N7O8 (561.2546990000001)
Lys Met Phe His
Lys Met His Phe
Lys Asn Asp Trp
C25H35N7O8 (561.2546990000001)
Lys Asn Trp Asp
C25H35N7O8 (561.2546990000001)
Lys Gln Thr Trp
Lys Gln Trp Thr
Lys Thr Gln Trp
Lys Thr Trp Gln
Lys Trp Asp Asn
C25H35N7O8 (561.2546990000001)
Lys Trp Asn Asp
C25H35N7O8 (561.2546990000001)
Lys Trp Gln Thr
Lys Trp Thr Gln
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 Phe Pro Trp
Leu Phe Trp Pro
Leu Pro Phe Trp
Leu Pro Trp Phe
Leu Trp Asp Glu
Leu Trp Glu Asp
Leu Trp Phe Pro
Leu Trp Pro Phe
Met Phe His Lys
Met Phe Lys His
Met His Phe Lys
Met His Lys Phe
Met Lys Phe His
Met Lys His Phe
Met Gln Gln Arg
Met Gln Arg Gln
Met Arg Gln Gln
Asn Asp Lys Trp
C25H35N7O8 (561.2546990000001)
Asn Asp Trp Lys
C25H35N7O8 (561.2546990000001)
Asn Lys Asp Trp
C25H35N7O8 (561.2546990000001)
Asn Lys Trp Asp
C25H35N7O8 (561.2546990000001)
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 Lys Asp
C25H35N7O8 (561.2546990000001)
Asn Trp Arg Ser
Asn Trp Ser Arg
Pro Phe Ile Trp
Pro Phe Leu Trp
Pro Phe Trp Ile
Pro Phe Trp Leu
Pro Ile Phe Trp
Pro Ile Trp Phe
Pro Leu Phe Trp
Pro Leu Trp Phe
Pro Pro Trp Tyr
Pro Pro Tyr Trp
Pro Trp Phe Ile
Pro Trp Phe Leu
Pro Trp Ile Phe
Pro Trp Leu Phe
Pro Trp Pro Tyr
Pro Trp Tyr Pro
Pro Tyr Pro Trp
Pro Tyr Trp Pro
Gln Cys Arg Arg
Gln Lys Thr Trp
Gln Lys Trp Thr
Gln Met Gln Arg
Gln Met Arg Gln
Gln Gln Met Arg
Gln Gln Arg Met
Gln Gln Thr Trp
C25H35N7O8 (561.2546990000001)
Gln Gln Trp Thr
C25H35N7O8 (561.2546990000001)
Gln Arg Cys Arg
Gln Arg Met Gln
Gln Arg Gln Met
Gln Arg Arg Cys
Gln Thr Lys Trp
Gln Thr Gln Trp
C25H35N7O8 (561.2546990000001)
Gln Thr Trp Lys
Gln Thr Trp Gln
C25H35N7O8 (561.2546990000001)
Gln Trp Lys Thr
Gln Trp Gln Thr
C25H35N7O8 (561.2546990000001)
Gln Trp Thr Lys
Gln Trp Thr Gln
C25H35N7O8 (561.2546990000001)
Arg Cys Phe His
C24H35N9O5S (561.2481740000001)
Arg Cys His Phe
C24H35N9O5S (561.2481740000001)
Arg Cys Gln Arg
Arg Cys Arg Gln
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 Met Gln Gln
Arg Asn Ser Trp
Arg Asn Trp Ser
Arg Gln Cys Arg
Arg Gln Met Gln
Arg Gln Gln Met
Arg Gln Arg Cys
Arg Arg Cys Gln
Arg Arg Gln Cys
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
Ser Tyr His Arg
Ser Tyr Arg His
Thr Lys Gln Trp
Thr Lys Trp Gln
Thr Gln Lys Trp
Thr Gln Gln Trp
C25H35N7O8 (561.2546990000001)
Thr Gln Trp Lys
Thr Gln Trp Gln
C25H35N7O8 (561.2546990000001)
Thr Trp Lys Gln
Thr Trp Gln Lys
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 Glu Asp Ile
Trp Glu Asp Leu
Trp Glu Glu Val
Trp Glu Ile Asp
Trp Glu Leu Asp
Trp Glu Val Glu
Trp Phe Ile Pro
Trp Phe Leu Pro
Trp Phe Pro Ile
Trp Phe Pro Leu
Trp Ile Asp Glu
Trp Ile Glu Asp
Trp Ile Phe Pro
Trp Ile Pro Phe
Trp Lys Asp Asn
C25H35N7O8 (561.2546990000001)
Trp Lys Asn Asp
C25H35N7O8 (561.2546990000001)
Trp Lys Gln Thr
Trp Lys Thr Gln
Trp Leu Asp Glu
Trp Leu Glu Asp
Trp Leu Phe Pro
Trp Leu Pro Phe
Trp Asn Asp Lys
C25H35N7O8 (561.2546990000001)
Trp Asn Lys Asp
C25H35N7O8 (561.2546990000001)
Trp Asn Arg Ser
Trp Asn Ser Arg
Trp Pro Phe Ile
Trp Pro Phe Leu
Trp Pro Ile Phe
Trp Pro Leu Phe
Trp Pro Pro Tyr
Trp Pro Tyr Pro
Trp Gln Lys Thr
Trp Gln Gln Thr
C25H35N7O8 (561.2546990000001)
Trp Gln Thr Lys
Trp Gln Thr Gln
C25H35N7O8 (561.2546990000001)
Trp Arg Asn Ser
Trp Arg Ser Asn
Trp Ser Asn Arg
Trp Ser Arg Asn
Trp Thr Lys Gln
Trp Thr Gln Lys
Trp Thr Gln Gln
C25H35N7O8 (561.2546990000001)
Trp Val Glu Glu
Trp Tyr Pro Pro
Tyr Asp His Lys
C25H35N7O8 (561.2546990000001)
Tyr Asp Lys His
C25H35N7O8 (561.2546990000001)
Tyr His Asp Lys
C25H35N7O8 (561.2546990000001)
Tyr His Lys Asp
C25H35N7O8 (561.2546990000001)
Tyr His Arg Ser
Tyr His Ser Arg
Tyr Lys Asp His
C25H35N7O8 (561.2546990000001)
Tyr Lys His Asp
C25H35N7O8 (561.2546990000001)
Tyr Pro Pro Trp
Tyr Pro Trp Pro
Tyr Arg His Ser
Tyr Arg Ser His
Tyr Ser His Arg
Tyr Ser Arg His
Tyr Trp Pro Pro
(8alpha)-12-hydroxy-2,5alpha-diisopropylergotaman-3,6,18-trione
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)
Micronomicin sulfate
C20H43N5O11S (561.2679648000001)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D005839 - Gentamicins
(3R)-N6-(2,3-dihydro-1H-inden-2-yl)-3-(2-hydroxyethyl)-N2-propan-2-yl-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide
N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
C29H43N3O6S (561.2872418000001)
(3S)-N6-(2,3-dihydro-1H-inden-2-yl)-3-(2-hydroxyethyl)-N2-propan-2-yl-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide
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
4-{(4-anilinonaphthalen-1-yl)[4-(diethylamino)phenyl]methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium chloride
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-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
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
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)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
1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
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-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H43N3O6S (561.2872418000001)
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
3-(2,4-dimethoxyphenyl)-1-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-1-methylurea
3-(2,4-dimethoxyphenyl)-1-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-1-methylurea
[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone
3-(2,4-dimethoxyphenyl)-1-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-1-methylurea
(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-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)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
1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)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-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
C29H43N3O6S (561.2872418000001)
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-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
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-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H43N3O6S (561.2872418000001)
1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
C29H43N3O6S (561.2872418000001)
N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H43N3O6S (561.2872418000001)
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
3-(2,4-dimethoxyphenyl)-1-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-1-methylurea
3-(2,4-dimethoxyphenyl)-1-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-1-methylurea
[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone
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
3-(2,4-dimethoxyphenyl)-1-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-1-methylurea
3-(2,4-dimethoxyphenyl)-1-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-1-methylurea
(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
3-[[3-acetyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-aminopropanoic acid
2-amino-3-[[3-butanoyloxy-2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
(6aS,9S)-N-[(1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
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.