Chem
J-GLOBAL ID：200907063497388360   Nikkaji number：J921.674J

N-[(1S,3S,4S)-1-Benzyl-3-hydroxy-4-[[N-[(6-methylpyrazin-2-ylmethoxy)carbonyl]-L-valyl]amino]-5-phenylpentyl]carbamic acid 3-pyridinylmethyl ester

N-[(1S,3S,4S)-1-ベンジル-3-ヒドロキシ-4-[[N-[(6-メチルピラジン-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： C37H44N6O6
Molecular formula furigana： C37-H44-N6-O6
Molecular weight： 668.795
InChI： InChI=1S/C37H44N6O6/c1-25(2)34(43-37(47)49-24-31-22-39-20-26(3)40-31)35(45)42-32(18-28-13-8-5-9-14-28)33(44)19-30(17-27-11-6-4-7-12-27)41-36(46)48-23-29-15-10-16-38-21-29/h4-16,20-22,25,30,32-34,44H,17-19,23-24H2,1-3H3,(H,41,46)(H,42,45)(H,43,47)/t30-,32-,33-,34-/m0/s1
InChI key： LZMXDPVSVPTYCL-DYTOPAQESA-N
SMILES： CC(C)[C@H](NC(=O)OCc1cncc(C)n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1
Systematic name  (3)：
  • N-[(1S,3S,4S)-1-ベンジル-3-ヒドロキシ-4-[[N-[(6-メチルピラジン-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,4S,5S)-4-ヒドロキシ-5-[(2S)-3-メチル-2-({[(6-メチルピラジン-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,4S,5S)-4-hydroxy-5-[(2S)-3-methyl-2-({[(6-methylpyrazin-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-[(6-methylpyrazin-2-ylmethoxy)carbonyl]-L-valyl]amino]-5-phenylpentyl]carbamic acid 3-pyridinylmethyl ester
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