Chem
J-GLOBAL ID：200907021552991408   Nikkaji number：J851.014H

BMS-186716

BMS-186716
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C19H24N2O4S2
Molecular formula furigana： C19-H24-N2-O4-S2
Molecular weight： 408.530
InChI： InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1
InChI key： LVRLSYPNFFBYCZ-VGWMRTNUSA-N
SMILES： OC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Systematic name  (4)：
  • (4S,10aβ)-オクタヒドロ-4α-[[(S)-2-メルカプト-1-オキソ-3-フェニルプロピル]アミノ]-5-オキソ-7H-ピリド[2,1-b][1,3]チアゼピン-7α-カルボン酸
  • (1S)-6-オキソ-5α-[(S)-3-フェニル-2-メルカプトプロパノイルアミノ]-2-チア-7-アザビシクロ[5.4.0]ウンデカン-8α-カルボン酸
  • (4S,7S,10aS)-5-オキソ-4-[(2S)-3-フェニル-2-スルファニルプロパンアミド]-オクタヒドロ-2H-ピリド[2,1-b][1,3]チアゼピン-7-カルボン酸
  • (4S,7S,10aS)-5-oxo-4-[(2S)-3-phenyl-2-sulfanylpropanamido]-octahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
Other name (4)：
  • BMS-186716
  • (4S,10aβ)-Octahydro-4α-[[(S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-5-oxo-7H-pyrido[2,1-b][1,3]thiazepine-7α-carboxylic acid
  • (1S)-6-Oxo-5α-[(S)-3-phenyl-2-mercaptopropanoylamino]-2-thia-7-azabicyclo[5.4.0]undecane-8α-carboxylic acid
  • オマパリラート
Thsaurus map：
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