(E)-N,N'-bis[2-[[2-[[2-(2-cyanoethylcarbamoyl)-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]but-2-enediamide

Systemtic Name: (E)-N,N'-bis[2-[[2-[[2-(2-cyanoethylcarbamoyl)-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]but-2-enediamide Openeye Name: (E)-N,N'-bis[2-[[2-[[2-(2-cyanoethylcarbamoyl)-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]but-2-enediamide CAS Name: (E)-N,N'-bis[2-[[[2-[[[2-[(2-cyanoethylamino)-oxomethyl]-1-methyl-4-imidazolyl]amino]-oxomethyl]-1-methyl-4-imidazolyl]amino]-oxomethyl]-1-methyl-4-imidazolyl]-2-butenediamide IUPAC Name: (E)-N,N'-bis[2-[[2-[[2-(2-cyanoethylcarbamoyl)-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]but-2-enediamide Traditional Name: (E)-N,N'-bis[2-[[2-[[2-(2-cyanoethylcarbamoyl)-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]but-2-enediamide Formula: C40H42N22O8 MolecularWeight: 958.90408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NC3=CN(C(=N3)C(=O)NCCC#N)C)C)NC(=O)C=CC(=O)NC4=CN(C(=N4)C(=O)NC5=CN(C(=N5)C(=O)NC6=CN(C(=N6)C(=O)NCCC#N)C)C)C

Isomeric SMILES

CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NC3=CN(C(=N3)C(=O)NCCC#N)C)C)NC(=O)/C=C/C(=O)NC4=CN(C(=N4)C(=O)NC5=CN(C(=N5)C(=O)NC6=CN(C(=N6)C(=O)NCCC#N)C)C)C

InChI

InChI=1S/C40H42N22O8/c1-57-17-23(49-29(57)35(65)43-13-7-11-41)53-39(69)33-51-25(19-61(33)5)55-37(67)31-47-21(15-59(31)3)45-27(63)9-10-28(64)46-22-16-60(4)32(48-22)38(68)56-26-20-62(6)34(52-26)40(70)54-24-18-58(2)30(50-24)36(66)44-14-8-12-42/h9-10,15-20H,7-8,13-14H2,1-6H3,(H,43,65)(H,44,66)(H,45,63)(H,46,64)(H,53,69)(H,54,70)(H,55,67)(H,56,68)/b10-9+