Chem
J-GLOBAL ID：200907017693541433   Nikkaji number：J943.202G

KNI-241

KNI-241
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： C38H48N6O7S
Molecular formula furigana： C38-H48-N6-O7-S
Molecular weight： 732.900
InChI： InChI=1S/C38H48N6O7S/c1-37(2,3)43-35(49)33-38(4,5)52-23-44(33)36(50)32(47)28(19-24-13-8-6-9-14-24)42-34(48)29(21-30(39)45)41-31(46)22-51-27-18-12-17-26(20-27)40-25-15-10-7-11-16-25/h6-18,20,28-29,32-33,40,47H,19,21-23H2,1-5H3,(H2,39,45)(H,41,46)(H,42,48)(H,43,49)/t28-,29-,32-,33-/m0/s1
InChI key： WQGDGNSMEUSESA-IKFSTVPESA-N
SMILES： CC(C)(C)NC(=O)[C@@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)N)NC(=O)COc1cccc(Nc2ccccc2)c1
Systematic name  (4)：
  • (4S)-N-tert-ブチル-3-[(2S,3S)-2-ヒドロキシ-3-[[N2-[(3-アニリノフェノキシ)アセチル]-L-アスパラギニル]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
  • (4S)-N-tert-ブチル-3-[(2S,3S)-2-ヒドロキシ-3-[N2-[(3-アニリノフェノキシ)アセチル]-L-アスパラギニルアミノ]-4-フェニルブチリル]-5,5-ジメチル-4-チアゾリジンカルボアミド
  • (2S)-N-[(2S,3S)-4-[(4S)-4-(tert-ブチルカルバモイル)-5,5-ジメチル-1,3-チアゾリジン-3-イル]-3-ヒドロキシ-4-オキソ-1-フェニルブタン-2-イル]-2-{2-[3-(フェニルアミノ)フェノキシ]アセトアミド}ブタンジアミド
  • (2S)-N-[(2S,3S)-4-[(4S)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-{2-[3-(phenylamino)phenoxy]acetamido}butanediamide
Other name (3)：
  • KNI-241
  • (4S)-N-tert-Butyl-3-[(2S,3S)-2-hydroxy-3-[[N2-[(3-anilinophenoxy)acetyl]-L-asparaginyl]amino]-4-phenylbutyryl]-5,5-dimethylthiazolidine-4-carboxamide
  • (4S)-N-tert-Butyl-3-[(2S,3S)-2-hydroxy-3-[N2-[(3-anilinophenoxy)acetyl]-L-asparaginylamino]-4-phenylbutyryl]-5,5-dimethyl-4-thiazolidinecarboxamide
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