Chem
J-GLOBAL ID：201207096605118820   Nikkaji number：J3.014.048F

SM-122

(3S,10aα)-N-ベンズヒドリル-5-オキソ-6β-(N-メチル-L-アラニルアミノ)デカヒドロピロロ[1,2-a]アゾシン-3β-カルボアミド
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： C28H36N4O3
Molecular formula furigana： C28-H36-N4-O3
Molecular weight： 476.621
InChI： InChI=1S/C28H36N4O3/c1-19(29-2)26(33)30-23-16-10-9-15-22-17-18-24(32(22)28(23)35)27(34)31-25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,19,22-25,29H,9-10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-/m0/s1
InChI key： XBTLZUHJBOBKRG-HCUBDLJJSA-N
SMILES： CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Systematic name  (4)：
  • (3S,10aα)-N-ベンズヒドリル-5-オキソ-6β-(N-メチル-L-アラニルアミノ)デカヒドロピロロ[1,2-a]アゾシン-3β-カルボアミド
  • (3S)-N-ベンズヒドリル-5-オキソ-6β-[[(2S)-2-(メチルアミノ)プロパノイル]アミノ]-1,2,3,5,6,7,8,9,10,10aα-デカヒドロピロロ[1,2-a]アゾシン-3β-カルボアミド
  • (3S,6S,10aS)-N-(ジフェニルメチル)-6-[(2S)-2-(メチルアミノ)プロパンアミド]-5-オキソ-デカヒドロピロロ[1,2-a]アゾシン-3-カルボキサミド
  • (3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-decahydropyrrolo[1,2-a]azocine-3-carboxamide
Other name (3)：
  • (3S,10aα)-N-Benzhydryl-5-oxo-6β-(N-methyl-L-alanylamino)decahydropyrrolo[1,2-a]azocine-3β-carboxamide
  • (3S)-N-Benzhydryl-5-oxo-6β-[[(2S)-2-(methylamino)propanoyl]amino]-1,2,3,5,6,7,8,9,10,10aα-decahydropyrrolo[1,2-a]azocine-3β-carboxamide
  • SM-122
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