Chem
J-GLOBAL ID：201007002186516714   Nikkaji number：J2.827.616H

KNI-10763

(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-(メチルアミノ)エチル]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： C38H49N5O6S
Molecular formula furigana： C38-H49-N5-O6-S
Molecular weight： 703.900
InChI： InChI=1S/C38H49N5O6S/c1-23-17-27(40-16-15-39-5)18-24(2)34(23)49-21-31(45)41-29(19-25-11-7-6-8-12-25)33(46)37(48)43-22-50-38(3,4)35(43)36(47)42-32-28-14-10-9-13-26(28)20-30(32)44/h6-14,17-18,29-30,32-33,35,39-40,44,46H,15-16,19-22H2,1-5H3,(H,41,45)(H,42,47)/t29-,30+,32-,33-,35+/m0/s1
InChI key： MGDBCLMLZKHXCE-WLYLRDIASA-N
SMILES： CNCCNc1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1
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-(メチルアミノ)エチル]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-{[2-(メチルアミノ)エチル]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-{[2-(methylamino)ethyl]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-(methylamino)ethyl]amino]phenoxy]acetylamino]-4-phenylbutyryl]-5,5-dimethylthiazolidine-4-carboxamide
  • KNI-10763
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