Chem
J-GLOBAL ID：201007004712923985   Nikkaji number：J2.800.967D

KNI-10743

(4R)-N-[(1S,2R)-2-ヒドロキシ-1-インダニル]-3-[(2S,3S)-3-ベンジル-2-ヒドロキシ-3-[[4-[[2-(ジメチルアミノ)エチル]メチルアミノ]-2,6-ジメチルフェノキシ]アセチルアミノ]プロパノイル]-5,5-ジメチルチアゾリジン-4-アセトアミド
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： C41H55N5O6S
Molecular formula furigana： C41-H55-N5-O6-S
Molecular weight： 745.980
InChI： InChI=1S/C41H55N5O6S/c1-26-19-30(45(7)18-17-44(5)6)20-27(2)39(26)52-24-36(49)42-32(21-28-13-9-8-10-14-28)38(50)40(51)46-25-53-41(3,4)34(46)23-35(48)43-37-31-16-12-11-15-29(31)22-33(37)47/h8-16,19-20,32-34,37-38,47,50H,17-18,21-25H2,1-7H3,(H,42,49)(H,43,48)/t32-,33+,34+,37-,38-/m0/s1
InChI key： BRINTQOFGVBIGZ-BHLZUXJESA-N
SMILES： CN(C)CCN(C)c1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2CC(=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-1-インダニル]-3-[(2S,3S)-3-ベンジル-2-ヒドロキシ-3-[[4-[[2-(ジメチルアミノ)エチル]メチルアミノ]-2,6-ジメチルフェノキシ]アセチルアミノ]プロパノイル]-5,5-ジメチルチアゾリジン-4-アセトアミド
  • 2-(4-{[2-(ジメチルアミノ)エチル](メチル)アミノ}-2,6-ジメチルフェノキシ)-N-[(2S,3S)-3-ヒドロキシ-4-[(4R)-4-({[(1S,2R)-2-ヒドロキシ-2,3-ジヒドロ-1H-インデン-1-イル]カルバモイル}メチル)-5,5-ジメチル-1,3-チアゾリジン-3-イル]-4-オキソ-1-フェニルブタン-2-イル]アセトアミド
  • 2-(4-{[2-(dimethylamino)ethyl](methyl)amino}-2,6-dimethylphenoxy)-N-[(2S,3S)-3-hydroxy-4-[(4R)-4-({[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}methyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-4-oxo-1-phenylbutan-2-yl]acetamide
Other name (2)：
  • (4R)-N-[(1S,2R)-2-Hydroxy-1-indanyl]-3-[(2S,3S)-3-benzyl-2-hydroxy-3-[[4-[[2-(dimethylamino)ethyl]methylamino]-2,6-dimethylphenoxy]acetylamino]propanoyl]-5,5-dimethylthiazolidine-4-acetamide
  • KNI-10743
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