Chem
J-GLOBAL ID：200907011967921078   Nikkaji number：J943.203E

KNI-727

KNI-727
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： C30H41N3O5S
Molecular formula furigana： C30-H41-N3-O5-S
Molecular weight： 555.730
InChI： InChI=1S/C30H41N3O5S/c1-19-12-11-13-20(2)25(19)38-17-23(34)31-22(16-21-14-9-8-10-15-21)24(35)28(37)33-18-39-30(6,7)26(33)27(36)32-29(3,4)5/h8-15,22,24,26,35H,16-18H2,1-7H3,(H,31,34)(H,32,36)/t22-,24-,26+/m0/s1
InChI key： CSWRAOHDICNMPU-LLZJGCNPSA-N
SMILES： Cc1cccc(C)c1OCC(=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-[[(2,6-ジメチルフェノキシ)アセチル]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)-3-[2-(2,6-ジメチルフェノキシ)アセトアミド]-2-ヒドロキシ-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)-3-[2-(2,6-dimethylphenoxy)acetamido]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Other name (2)：
  • KNI-727
  • (4R)-N-tert-Butyl-3-[(2S,3S)-2-hydroxy-3-[[(2,6-dimethylphenoxy)acetyl]amino]-4-phenylbutyryl]-5,5-dimethylthiazolidine-4-carboxamide
Thsaurus map：
Thesaurus Map

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