Chem
J-GLOBAL ID：201507016997272040   Nikkaji number：J3.400.977E

[(1S,2S,4S)-1-Benzyl-4-[N-[methyl(2-isopropylthiazole-4-ylmethyl)carbamoyl]-D-valylamino]-2-hydroxy-5-phenylpentyl]carbamic acid 5-thiazolylmethyl ester

[(1S,2S,4S)-1-ベンジル-4-[N-[メチル(2-イソプロピルチアゾール-4-イルメチル)カルバモイル]-D-バリルアミノ]-2-ヒドロキシ-5-フェニルペンチル]カルバミド酸5-チアゾリルメチル
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： C37H48N6O5S2
Molecular formula furigana： C37-H48-N6-O5-S2
Molecular weight： 720.950
InChI： InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33+/m0/s1
InChI key： NCDNCNXCDXHOMX-OOUBJREFSA-N
SMILES： CC(C)[C@@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
Systematic name  (3)：
  • [(1S,2S,4S)-1-ベンジル-4-[N-[メチル(2-イソプロピルチアゾール-4-イルメチル)カルバモイル]-D-バリルアミノ]-2-ヒドロキシ-5-フェニルペンチル]カルバミド酸5-チアゾリルメチル
  • (1,3-チアゾール-5-イル)メチル N-[(2S,3S,5S)-3-ヒドロキシ-5-[(2R)-3-メチル-2-{[メチル({[2-(プロパン-2-イル)-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
  • (1,3-thiazol-5-yl)methyl N-[(2S,3S,5S)-3-hydroxy-5-[(2R)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]carbamate
Other name (1)：
  • [(1S,2S,4S)-1-Benzyl-4-[N-[methyl(2-isopropylthiazole-4-ylmethyl)carbamoyl]-D-valylamino]-2-hydroxy-5-phenylpentyl]carbamic acid 5-thiazolylmethyl ester
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