Chem
J-GLOBAL ID：200907048616842784   Nikkaji number：J1.939.955I

KNI-10006

KNI-10006
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： C35H41N3O6S
Molecular formula furigana： C35-H41-N3-O6-S
Molecular weight： 631.790
InChI： InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32+/m0/s1
InChI key： KKTYZYHUPKXLPL-RIQJEONASA-N
SMILES： Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Systematic name  (3)：
  • (4R)-N-[(1S,2R)-2-ヒドロキシインダン-1-イル]-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)-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]-N-[(1S,2R)-2-ヒドロキシ-2,3-ジヒドロ-1H-インデン-1-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)-3-[(2S,3S)-3-[2-(2,6-dimethylphenoxy)acetamido]-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Other name (2)：
  • (4R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-2-hydroxy-3-[[(2,6-dimethylphenoxy)acetyl]amino]-4-phenylbutyryl]-5,5-dimethylthiazolidine-4-carboxamide
  • KNI-10006
CAS registry number： 461444-55-3
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