Chem
J-GLOBAL ID:200907039004543002   Nikkaji number:J720.970C

2-[(R)-1-[[N-[[(Hexahydro-1H-azepin)-1-yl]carbonyl]-L-leucyl]amino]-2-(1H-indol-3-yl)ethyl]-N,5-dimethyloxazole-4-carboxamide

2-[(R)-1-[[N-[[(ヘキサヒドロ-1H-アゼピン)-1-イル]カルボニル]-L-ロイシル]アミノ]-2-(1H-インドール-3-イル)エチル]-N,5-ジメチルオキサゾール-4-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: C29H40N6O4
Molecular formula furigana: C29-H40-N6-O4
Molecular weight: 536.677
InChI: InChI=1S/C29H40N6O4/c1-18(2)15-23(33-29(38)35-13-9-5-6-10-14-35)26(36)32-24(28-34-25(19(3)39-28)27(37)30-4)16-20-17-31-22-12-8-7-11-21(20)22/h7-8,11-12,17-18,23-24,31H,5-6,9-10,13-16H2,1-4H3,(H,30,37)(H,32,36)(H,33,38)/t23-,24+/m0/s1
InChI key: GJMWRNQOTARVKK-BJKOFHAPSA-N
SMILES: CNC(=O)c1nc(oc1C)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1
Systematic name  (3):
  • 2-[(R)-1-[[N-[[(ヘキサヒドロ-1H-アゼピン)-1-イル]カルボニル]-L-ロイシル]アミノ]-2-(1H-インドール-3-イル)エチル]-N,5-ジメチルオキサゾール-4-カルボアミド
  • 2-[(1R)-1-[(2S)-2-[(アゼパン-1-カルボニル)アミノ]-4-メチルペンタンアミド]-2-(1H-インドール-3-イル)エチル]-N,5-ジメチル-1,3-オキサゾール-4-カルボキサミド
  • 2-[(1R)-1-[(2S)-2-[(azepane-1-carbonyl)amino]-4-methylpentanamido]-2-(1H-indol-3-yl)ethyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
Other name (1):
  • 2-[(R)-1-[[N-[[(Hexahydro-1H-azepin)-1-yl]carbonyl]-L-leucyl]amino]-2-(1H-indol-3-yl)ethyl]-N,5-dimethyloxazole-4-carboxamide
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