Chem
J-GLOBAL ID：200907080976156475   Nikkaji number：J1.003.017J

KNI-764

KNI-764
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： C32H37N3O5S
Molecular formula furigana： C32-H37-N3-O5-S
Molecular weight： 575.720
InChI： InChI=1S/C32H37N3O5S/c1-20-11-8-9-14-23(20)18-33-30(39)28-32(3,4)41-19-35(28)31(40)27(37)25(17-22-12-6-5-7-13-22)34-29(38)24-15-10-16-26(36)21(24)2/h5-16,25,27-28,36-37H,17-19H2,1-4H3,(H,33,39)(H,34,38)/t25-,27-,28+/m0/s1
InChI key： CUFQBQOBLVLKRF-RZDMPUFOSA-N
SMILES： Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C
Systematic name  (5)：
  • (4R)-N-(2-メチルベンジル)-3-[(2S,3S)-2-ヒドロキシ-3-[(2-メチル-3-ヒドロキシベンゾイル)アミノ]-4-フェニルブチリル]-5,5-ジメチルチアゾリジン-4-カルボアミド
  • (4R)-N-(2-メチルベンジル)-3-[(2S,3S)-2-ヒドロキシ-3-[(3-ヒドロキシ-2-メチルベンゾイル)アミノ]-4-フェニルブチリル]-5,5-ジメチルチアゾリジン-4-カルボアミド
  • (4R)-3-[(2S,3S)-2-ヒドロキシ-3-[(3-ヒドロキシ-2-メチルベンゾイル)アミノ]-1-オキソ-4-フェニルブチル]-5,5-ジメチル-N-[(2-メチルフェニル)メチル]-4-チアゾリジンカルボアミド
  • (4R)-3-[(2S,3S)-2-ヒドロキシ-3-[(3-ヒドロキシ-2-メチルフェニル)ホルムアミド]-4-フェニルブタノイル]-5,5-ジメチル-N-[(2-メチルフェニル)メチル]-1,3-チアゾリジン-4-カルボキサミド
  • (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
Other name (6)：
  • (4R)-N-(2-Methylbenzyl)-3-[(2S,3S)-2-hydroxy-3-[(2-methyl-3-hydroxybenzoyl)amino]-4-phenylbutyryl]-5,5-dimethylthiazolidine-4-carboxamide
  • KNI-764
  • (4R)-N-(2-Methylbenzyl)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutyryl]-5,5-dimethylthiazolidine-4-carboxamide
  • JE-2147
  • (4R)-3-[(2S,3S)-2-Hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-1-oxo-4-phenylbutyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-4-thiazolidinecarboxamide
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CAS registry number： 186538-00-1
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