Chem
J-GLOBAL ID：200907086333600899   Nikkaji number：J921.673A

N-[(1S,2S,4S)-1-Benzyl-2-hydroxy-4-[[N-[(pyrazin-2-ylmethoxy)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-[(ピラジン-2-イルメトキシ)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： C36H42N6O6
Molecular formula furigana： C36-H42-N6-O6
Molecular weight： 654.768
InChI： InChI=1S/C36H42N6O6/c1-25(2)33(42-36(46)48-24-30-22-38-16-17-39-30)34(44)40-29(18-26-10-5-3-6-11-26)20-32(43)31(19-27-12-7-4-8-13-27)41-35(45)47-23-28-14-9-15-37-21-28/h3-17,21-22,25,29,31-33,43H,18-20,23-24H2,1-2H3,(H,40,44)(H,41,45)(H,42,46)/t29-,31-,32-,33-/m0/s1
InChI key： QYMRDXRVBUCQAP-BBXFGWPUSA-N
SMILES： CC(C)[C@H](NC(=O)OCc1cnccn1)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-[(ピラジン-2-イルメトキシ)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-({[(ピラジン-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-({[(pyrazin-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-[(pyrazin-2-ylmethoxy)carbonyl]-L-valyl]amino]-5-phenylpentyl]carbamic acid 3-pyridinylmethyl ester
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