Chem
J-GLOBAL ID：200907012452970390   Nikkaji number：J1.073.015E

KNI-357

KNI-357
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： C22H31N3O6S
Molecular formula furigana： C22-H31-N3-O6-S
Molecular weight： 465.570
InChI： InChI=1S/C22H31N3O6S/c1-22(2,3)25-20(31)15-12-32-21(24-15)19(30)18(29)14(11-13-7-5-4-6-8-13)23-16(26)9-10-17(27)28/h4-8,14-15,18,21,24,29H,9-12H2,1-3H3,(H,23,26)(H,25,31)(H,27,28)/t14-,15-,18-,21?/m0/s1
InChI key： YTVBFPWWWXXRCR-CXLQEGGASA-N
SMILES： CC(C)(C)NC(=O)[C@@H]1CSC(N1)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)O
Systematic name  (3)：
  • 4-オキソ-4-[[(1S,2S)-1-ベンジル-2-ヒドロキシ-3-オキソ-3-[(4R)-4α-(tert-ブチルカルバモイル)-2-チアゾリジニル]プロピル]アミノ]ブタン酸
  • 3-{[(2S,3S)-4-[(4R)-4-(tert-ブチルカルバモイル)-1,3-チアゾリジン-2-イル]-3-ヒドロキシ-4-オキソ-1-フェニルブタン-2-イル]カルバモイル}プロパン酸
  • 3-{[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-1,3-thiazolidin-2-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamoyl}propanoic acid
Other name (2)：
  • 4-Oxo-4-[[(1S,2S)-1-benzyl-2-hydroxy-3-oxo-3-[(4R)-4α-(tert-butylcarbamoyl)-2-thiazolidinyl]propyl]amino]butanoic acid
  • KNI-357
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