Chem
J-GLOBAL ID：200907049701665855   Nikkaji number：J921.686C

N-[(1S,3S,4S)-1-Benzyl-3-hydroxy-4-[[N-[[methyl(2-pyridinylmethyl)amino]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-[[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(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： C37H45N7O5
Molecular formula furigana： C37-H45-N7-O5
Molecular weight： 667.811
InChI： InChI=1S/C37H45N7O5/c1-26(2)34(43-36(47)44(3)23-30-16-10-11-17-40-30)35(46)42-32(19-28-14-8-5-9-15-28)33(45)20-31(18-27-12-6-4-7-13-27)41-37(48)49-24-29-21-38-25-39-22-29/h4-17,21-22,25-26,31-34,45H,18-20,23-24H2,1-3H3,(H,41,48)(H,42,46)(H,43,47)/t31-,32-,33-,34-/m0/s1
InChI key： INNKYOJPFHTURR-CUPIEXAXSA-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)OCc1cncnc1
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(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-({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
  • (pyrimidin-5-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 (pyrimidin-5-yl)methyl ester
Thsaurus map：
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