Chem
J-GLOBAL ID：200907043690683599   Nikkaji number：J501.100K

KNI-272

KNI-272
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： C33H41N5O6S2
Molecular formula furigana： C33-H41-N5-O6-S2
Molecular weight： 667.840
InChI： InChI=1S/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24-,25-,26+,29-/m0/s1
InChI key： NJBBLOIWMSYVCQ-QNVWVOQGSA-N
SMILES： CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C
Systematic name  (3)：
  • (4S)-N-tert-ブチル-3-[(2S,3S)-2-ヒドロキシ-3-[[S-メチル-N-[[(イソキノリン-5-イル)オキシ]アセチル]-L-システイニル]アミノ]-4-フェニルブチリル]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-[(2R)-2-[2-(イソキノリン-5-イルオキシ)アセトアミド]-3-(メチルスルファニル)プロパンアミド]-4-フェニルブタノイル]-1,3-チアゾリジン-4-カルボキサミド
  • (4S)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[2-(isoquinolin-5-yloxy)acetamido]-3-(methylsulfanyl)propanamido]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
Other name (4)：
  • KNI-272
  • (4S)-N-tert-Butyl-3-[(2S,3S)-2-hydroxy-3-[[S-methyl-N-[[(isoquinolin-5-yl)oxy]acetyl]-L-cysteinyl]amino]-4-phenylbutyryl]thiazolidine-4-carboxamide
  • キノスタチン
  • Kynostatin
Application (2)：
proteinase inhibitor ,  anti-AIDSagent
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