Chem
J-GLOBAL ID：200907040958120445   Nikkaji number：J921.685E

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

N-[(1S,3S,4S)-1-ベンジル-3-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(ピリミジン-5-イル)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)48-23-29-15-9-10-16-39-29)34(44)41-31(18-27-13-7-4-8-14-27)32(43)19-30(17-26-11-5-3-6-12-26)40-35(45)47-22-28-20-37-24-38-21-28/h3-16,20-21,24-25,30-33,43H,17-19,22-23H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)/t30-,31-,32-,33-/m0/s1
InChI key： WBZOUQAIUNZBIY-YRCZKMHPSA-N
SMILES： CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cncnc1
Systematic name  (3)：
  • N-[(1S,3S,4S)-1-ベンジル-3-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(ピリミジン-5-イル)メチル
  • (ピリミジン-5-イル)メチル N-[(2S,4S,5S)-4-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
  • (pyrimidin-5-yl)methyl N-[(2S,4S,5S)-4-hydroxy-5-[(2S)-3-methyl-2-({[(pyridin-2-yl)methoxy]carbonyl}amino)butanamido]-1,6-diphenylhexan-2-yl]carbamate
Other name (1)：
  • N-[(1S,3S,4S)-1-Benzyl-3-hydroxy-4-[[N-[[(2-pyridinyl)methoxy]carbonyl]-L-valyl]amino]-5-phenylpentyl]carbamic acid (pyrimidin-5-yl)methyl ester
Thsaurus map：
Thesaurus Map

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