Chem
J-GLOBAL ID：200907018469516659   Nikkaji number：J921.663D

N-[(1S,3S,4S)-1-Benzyl-3-hydroxy-4-[[N-[[methyl(2-pyridinylmethyl)amino]carbonyl]-L-valyl]amino]-5-phenylpentyl]carbamic acid 3-pyridinylmethyl ester

N-[(1S,3S,4S)-1-ベンジル-3-ヒドロキシ-4-[[N-[[メチル(2-ピリジニルメチル)アミノ]カルボニル]-L-バリル]アミノ]-5-フェニルペンチル]カルバミン酸3-ピリジニルメチル
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： C38H46N6O5
Molecular formula furigana： C38-H46-N6-O5
Molecular weight： 666.823
InChI： InChI=1S/C38H46N6O5/c1-27(2)35(43-37(47)44(3)25-31-18-10-11-20-40-31)36(46)42-33(22-29-15-8-5-9-16-29)34(45)23-32(21-28-13-6-4-7-14-28)41-38(48)49-26-30-17-12-19-39-24-30/h4-20,24,27,32-35,45H,21-23,25-26H2,1-3H3,(H,41,48)(H,42,46)(H,43,47)/t32-,33-,34-,35-/m0/s1
InChI key： CIGHMJPAAOVJLU-BBACVFHCSA-N
SMILES： CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1
Systematic name  (3)：
  • N-[(1S,3S,4S)-1-ベンジル-3-ヒドロキシ-4-[[N-[[メチル(2-ピリジニルメチル)アミノ]カルボニル]-L-バリル]アミノ]-5-フェニルペンチル]カルバミン酸3-ピリジニルメチル
  • (ピリジン-3-イル)メチル N-[(2S,4S,5S)-4-ヒドロキシ-5-[(2S)-3-メチル-2-({メチル[(ピリジン-2-イル)メチル]カルバモイル}アミノ)ブタンアミド]-1,6-ジフェニルヘキサン-2-イル]カルバマート
  • (pyridin-3-yl)methyl N-[(2S,4S,5S)-4-hydroxy-5-[(2S)-3-methyl-2-({methyl[(pyridin-2-yl)methyl]carbamoyl}amino)butanamido]-1,6-diphenylhexan-2-yl]carbamate
Other name (1)：
  • N-[(1S,3S,4S)-1-Benzyl-3-hydroxy-4-[[N-[[methyl(2-pyridinylmethyl)amino]carbonyl]-L-valyl]amino]-5-phenylpentyl]carbamic acid 3-pyridinylmethyl ester
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