Chem
J-GLOBAL ID：200907058085870643   Nikkaji number：J921.675H

N-[(1S,2S,4S)-1-Benzyl-2-hydroxy-4-[[N-[[methyl[(thiazol-4-yl)methyl]amino]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-[[メチル[(チアゾール-4-イル)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： C36H44N6O5S
Molecular formula furigana： C36-H44-N6-O5-S
Molecular weight： 672.850
InChI： InChI=1S/C36H44N6O5S/c1-25(2)33(41-35(45)42(3)21-30-23-48-24-38-30)34(44)39-29(17-26-11-6-4-7-12-26)19-32(43)31(18-27-13-8-5-9-14-27)40-36(46)47-22-28-15-10-16-37-20-28/h4-16,20,23-25,29,31-33,43H,17-19,21-22H2,1-3H3,(H,39,44)(H,40,46)(H,41,45)/t29-,31-,32-,33-/m0/s1
InChI key： LRQAWVKTNIFYGH-BBXFGWPUSA-N
SMILES： CC(C)[C@H](NC(=O)N(C)Cc1cscn1)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-[[メチル[(チアゾール-4-イル)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-({メチル[(1,3-チアゾール-4-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
  • (pyridin-3-yl)methyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-3-methyl-2-({methyl[(1,3-thiazol-4-yl)methyl]carbamoyl}amino)butanamido]-1,6-diphenylhexan-2-yl]carbamate
Other name (1)：
  • N-[(1S,2S,4S)-1-Benzyl-2-hydroxy-4-[[N-[[methyl[(thiazol-4-yl)methyl]amino]carbonyl]-L-valyl]amino]-5-phenylpentyl]carbamic acid 3-pyridinylmethyl ester
Thsaurus map：
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