Chem
J-GLOBAL ID:200907028096760533   Nikkaji number:J1.657.232B

N-[(1S,2S,4S)-1-Benzyl-2-hydroxy-4-(5-thiazolylmethoxycarbonylamino)-5-phenylpentyl]-Nα-(4-thiazolylmethoxycarbonyl)-L-valinamide

N-[(1S,2S,4S)-1-ベンジル-2-ヒドロキシ-4-(5-チアゾリルメトキシカルボニルアミノ)-5-フェニルペンチル]-Nα-(4-チアゾリルメトキシカルボニル)-L-バリンアミド
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: C33H39N5O6S2
Molecular formula furigana: C33-H39-N5-O6-S2
Molecular weight: 665.820
InChI: InChI=1S/C33H39N5O6S2/c1-22(2)30(38-33(42)43-17-26-19-45-21-35-26)31(40)37-28(14-24-11-7-4-8-12-24)29(39)15-25(13-23-9-5-3-6-10-23)36-32(41)44-18-27-16-34-20-46-27/h3-12,16,19-22,25,28-30,39H,13-15,17-18H2,1-2H3,(H,36,41)(H,37,40)(H,38,42)/t25-,28-,29-,30-/m0/s1
InChI key: BJSYOPZXTHQSSW-ABYARXGNSA-N
SMILES: CC(C)[C@H](NC(=O)OCc1cscn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1
Systematic name  (3):
  • N-[(1S,2S,4S)-1-ベンジル-2-ヒドロキシ-4-(5-チアゾリルメトキシカルボニルアミノ)-5-フェニルペンチル]-Nα-(4-チアゾリルメトキシカルボニル)-L-バリンアミド
  • (1,3-チアゾール-5-イル)メチル N-[(2S,4S,5S)-4-ヒドロキシ-5-[(2S)-3-メチル-2-({[(1,3-チアゾール-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
  • (1,3-thiazol-5-yl)methyl N-[(2S,4S,5S)-4-hydroxy-5-[(2S)-3-methyl-2-({[(1,3-thiazol-4-yl)methoxy]carbonyl}amino)butanamido]-1,6-diphenylhexan-2-yl]carbamate
Other name (1):
  • N-[(1S,2S,4S)-1-Benzyl-2-hydroxy-4-(5-thiazolylmethoxycarbonylamino)-5-phenylpentyl]-Nα-(4-thiazolylmethoxycarbonyl)-L-valinamide
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