Chem
J-GLOBAL ID：200907048718126951   Nikkaji number：J501.101I

KNI-227

KNI-227
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： C35H45N5O6S2
Molecular formula furigana： C35-H45-N5-O6-S2
Molecular weight： 695.890
InChI： InChI=1S/C35H45N5O6S2/c1-34(2,3)39-32(44)30-35(4,5)48-21-40(30)33(45)29(42)25(17-22-11-8-7-9-12-22)38-31(43)26(20-47-6)37-28(41)19-46-27-14-10-13-23-18-36-16-15-24(23)27/h7-16,18,25-26,29-30,42H,17,19-21H2,1-6H3,(H,37,41)(H,38,43)(H,39,44)/t25-,26-,29-,30-/m0/s1
InChI key： AHWCYDXQIXZVRK-ATACATFBSA-N
SMILES： CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[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]-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-[(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]-5,5-ジメチル-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]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Other name (2)：
  • KNI-227
  • (4S)-N-tert-Butyl-3-[(2S,3S)-2-hydroxy-3-[[S-methyl-N-[[(isoquinolin-5-yl)oxy]acetyl]-L-cysteinyl]amino]-4-phenylbutyryl]-5,5-dimethylthiazolidine-4-carboxamide
Thsaurus map：
Thesaurus Map

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