Chem
J-GLOBAL ID：200907066879488380   Nikkaji number：J942.118A

KNI-577

KNI-577
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： C28H37N3O5S
Molecular formula furigana： C28-H37-N3-O5-S
Molecular weight： 527.680
InChI： InChI=1S/C28H37N3O5S/c1-17-19(13-10-14-21(17)32)24(34)29-20(15-18-11-8-7-9-12-18)22(33)26(36)31-16-37-28(5,6)23(31)25(35)30-27(2,3)4/h7-14,20,22-23,32-33H,15-16H2,1-6H3,(H,29,34)(H,30,35)/t20-,22-,23+/m0/s1
InChI key： CGFVYUGIPISJQG-ACIOBRDBSA-N
SMILES： Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C
Systematic name  (3)：
  • (4R)-N-tert-ブチル-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-tert-ブチル-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-1,3-チアゾリジン-4-カルボキサミド
  • (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Other name (2)：
  • KNI-577
  • (4R)-N-tert-Butyl-3-[(2S,3S)-2-hydroxy-3-[(2-methyl-3-hydroxybenzoyl)amino]-4-phenylbutyryl]-5,5-dimethylthiazolidine-4-carboxamide
Thsaurus map：
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