Chem
J-GLOBAL ID：200907017758986586   Nikkaji number：J921.678B

N-[(1S,2S,4S)-1-Benzyl-2-hydroxy-4-[[N-[[(2-isopropyloxazol-4-yl)methoxy]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-イソプロピルオキサゾール-4-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： C38H47N5O7
Molecular formula furigana： C38-H47-N5-O7
Molecular weight： 685.822
InChI： InChI=1S/C38H47N5O7/c1-25(2)34(43-38(47)50-24-31-23-48-36(41-31)26(3)4)35(45)40-30(18-27-12-7-5-8-13-27)20-33(44)32(19-28-14-9-6-10-15-28)42-37(46)49-22-29-16-11-17-39-21-29/h5-17,21,23,25-26,30,32-34,44H,18-20,22,24H2,1-4H3,(H,40,45)(H,42,46)(H,43,47)/t30-,32-,33-,34-/m0/s1
InChI key： NZZVRDGSSYBECO-DYTOPAQESA-N
SMILES： CC(C)[C@H](NC(=O)OCc1coc(n1)C(C)C)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-イソプロピルオキサゾール-4-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-[({[2-(プロパン-2-イル)-1,3-オキサゾール-4-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-[({[2-(propan-2-yl)-1,3-oxazol-4-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-isopropyloxazol-4-yl)methoxy]carbonyl]-L-valyl]amino]-5-phenylpentyl]carbamic acid 3-pyridinylmethyl ester
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