Chem
J-GLOBAL ID：201007014353269803   Nikkaji number：J2.827.614A

KNI-10538

(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-[2,6-ジメチル-4-[(2-ピリジル)メチルアミノ]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
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： C41H47N5O6S
Molecular formula furigana： C41-H47-N5-O6-S
Molecular weight： 737.920
InChI： InChI=1S/C41H47N5O6S/c1-25-18-30(43-22-29-15-10-11-17-42-29)19-26(2)37(25)52-23-34(48)44-32(20-27-12-6-5-7-13-27)36(49)40(51)46-24-53-41(3,4)38(46)39(50)45-35-31-16-9-8-14-28(31)21-33(35)47/h5-19,32-33,35-36,38,43,47,49H,20-24H2,1-4H3,(H,44,48)(H,45,50)/t32-,33+,35-,36-,38+/m0/s1
InChI key： IEOXTIHUYRYEJG-CTRNRRKFSA-N
SMILES： Cc1cc(NCc2ccccn2)cc(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-[2,6-ジメチル-4-[(2-ピリジル)メチルアミノ]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-4-{[(ピリジン-2-イル)メチル]アミノ}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-dimethyl-4-{[(pyridin-2-yl)methyl]amino}phenoxy)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-[2,6-dimethyl-4-[(2-pyridyl)methylamino]phenoxy]acetylamino]-4-phenylbutyryl]-5,5-dimethylthiazolidine-4-carboxamide
  • KNI-10538
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