Chem
J-GLOBAL ID：200907064752149761   Nikkaji number：J921.676F

N-[(1S,3S,4S)-1-Benzyl-3-hydroxy-4-[[N-[[methyl[(2-methylthiazol-4-yl)methyl]amino]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-[[メチル[(2-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： C37H46N6O5S
Molecular formula furigana： C37-H46-N6-O5-S
Molecular weight： 686.870
InChI： InChI=1S/C37H46N6O5S/c1-25(2)34(42-36(46)43(4)22-31-24-49-26(3)39-31)35(45)41-32(19-28-14-9-6-10-15-28)33(44)20-30(18-27-12-7-5-8-13-27)40-37(47)48-23-29-16-11-17-38-21-29/h5-17,21,24-25,30,32-34,44H,18-20,22-23H2,1-4H3,(H,40,47)(H,41,45)(H,42,46)/t30-,32-,33-,34-/m0/s1
InChI key： CZVYZZQPYZTQDB-DYTOPAQESA-N
SMILES： CC(C)[C@H](NC(=O)N(C)Cc1csc(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-[[メチル[(2-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,4S,5S)-4-ヒドロキシ-5-[(2S)-3-メチル-2-({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,4S,5S)-4-hydroxy-5-[(2S)-3-methyl-2-({methyl[(2-methyl-1,3-thiazol-4-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-methylthiazol-4-yl)methyl]amino]carbonyl]-L-valyl]amino]-5-phenylpentyl]carbamic acid 3-pyridinylmethyl ester
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