Chem
J-GLOBAL ID：200907038548270380   Nikkaji number：J988.495E

N-(2,4-Dichlorophenethyl)-N-[(2S,3R)-2-hydroxy-3-[(2-bromo-4,5-dimethoxybenzoyl)amino]-4-(3-phenoxyphenyl)butyl]-1,3-dioxoisoindoline-2-propanamide

N-(2,4-ジクロロフェネチル)-N-[(2S,3R)-2-ヒドロキシ-3-[(2-ブロモ-4,5-ジメトキシベンゾイル)アミノ]-4-(3-フェノキシフェニル)ブチル]-1,3-ジオキソイソインドリン-2-プロパンアミド
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： C44H40BrCl2N3O8
Molecular formula furigana： C44-H40-BR-CL2-N3-O8
Molecular weight： 889.620
InChI： InChI=1S/C44H40BrCl2N3O8/c1-56-39-24-34(35(45)25-40(39)57-2)42(53)48-37(22-27-9-8-12-31(21-27)58-30-10-4-3-5-11-30)38(51)26-49(19-17-28-15-16-29(46)23-36(28)47)41(52)18-20-50-43(54)32-13-6-7-14-33(32)44(50)55/h3-16,21,23-25,37-38,51H,17-20,22,26H2,1-2H3,(H,48,53)/t37-,38+/m1/s1
InChI key： DQHKQRXAVNDAFY-AMAPPZPBSA-N
SMILES： COc1cc(Br)c(cc1OC)C(=O)N[C@H](Cc1cccc(Oc2ccccc2)c1)[C@@H](O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O
Systematic name  (3)：
  • N-(2,4-ジクロロフェネチル)-N-[(2S,3R)-2-ヒドロキシ-3-[(2-ブロモ-4,5-ジメトキシベンゾイル)アミノ]-4-(3-フェノキシフェニル)ブチル]-1,3-ジオキソイソインドリン-2-プロパンアミド
  • N-[(2S,3R)-3-[(2-ブロモ-4,5-ジメトキシフェニル)ホルムアミド]-2-ヒドロキシ-4-(3-フェノキシフェニル)ブチル]-N-[2-(2,4-ジクロロフェニル)エチル]-3-(1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)プロパンアミド
  • N-[(2S,3R)-3-[(2-bromo-4,5-dimethoxyphenyl)formamido]-2-hydroxy-4-(3-phenoxyphenyl)butyl]-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamide
Other name (1)：
  • N-(2,4-Dichlorophenethyl)-N-[(2S,3R)-2-hydroxy-3-[(2-bromo-4,5-dimethoxybenzoyl)amino]-4-(3-phenoxyphenyl)butyl]-1,3-dioxoisoindoline-2-propanamide
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