Chem
J-GLOBAL ID：201607003806632907   Nikkaji number：J3.535.064K

Eluxadoline

エルクサドリン
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： C32H35N5O5
Molecular formula furigana： C32-H35-N5-O5
Molecular weight： 569.662
InChI： InChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1
InChI key： QFNHIDANIVGXPE-FNZWTVRRSA-N
SMILES： COc1ccc(CN([C@@H](C)c2ncc([nH]2)c2ccccc2)C(=O)[C@@H](N)Cc2c(C)cc(cc2C)C(=O)N)cc1C(=O)O
Systematic name  (3)：
  • 5-[[[(2S)-2-アミノ-3-(4-カルバモイル-2,6-ジメチルフェニル)プロパノイル]-[(1S)-1-(5-フェニル-1H-イミダゾール-2-イル)エチル]アミノ]メチル]-2-メトキシ安息香酸
  • 5-{[(2S)-2-アミノ-3-(4-カルバモイル-2,6-ジメチルフェニル)-N-[(1S)-1-(5-フェニル-1H-イミダゾール-2-イル)エチル]プロパンアミド]メチル}-2-メトキシ安息香酸
  • 5-{[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamido]methyl}-2-methoxybenzoic acid
Other name (3)：
  • 5-[[[(2S)-2-Amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazole-2-yl)ethyl]amino]methyl]-2-methoxybenzoic acid
  • エルクサドリン
  • Eluxadoline
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