Chem
J-GLOBAL ID：200907088842237089   Nikkaji number：J921.664B

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

N-[(1S,2S,4S)-1-ベンジル-2-ヒドロキシ-4-[[N-[(2-ピリジニルメトキシ)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： C37H43N5O6
Molecular formula furigana： C37-H43-N5-O6
Molecular weight： 653.780
InChI： InChI=1S/C37H43N5O6/c1-26(2)34(42-37(46)48-25-30-17-9-10-19-39-30)35(44)40-31(20-27-12-5-3-6-13-27)22-33(43)32(21-28-14-7-4-8-15-28)41-36(45)47-24-29-16-11-18-38-23-29/h3-19,23,26,31-34,43H,20-22,24-25H2,1-2H3,(H,40,44)(H,41,45)(H,42,46)/t31-,32-,33-,34-/m0/s1
InChI key： ADNVACLEHHRDQY-CUPIEXAXSA-N
SMILES： CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1)Cc1ccccc1
Systematic name  (3)：
  • N-[(1S,2S,4S)-1-ベンジル-2-ヒドロキシ-4-[[N-[(2-ピリジニルメトキシ)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,3S,5S)-3-ヒドロキシ-5-[(2S)-3-メチル-2-({[(ピリジン-2-イル)メトキシ]カルボニル}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,3S,5S)-3-hydroxy-5-[(2S)-3-methyl-2-({[(pyridin-2-yl)methoxy]carbonyl}amino)butanamido]-1,6-diphenylhexan-2-yl]carbamate
Other name (1)：
  • N-[(1S,2S,4S)-1-Benzyl-2-hydroxy-4-[[N-[(2-pyridinylmethoxy)carbonyl]-L-valyl]amino]-5-phenylpentyl]carbamic acid 3-pyridinylmethyl ester
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