(E)-4-[[5-[[5-(2-cyanoethylcarbamoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[5-[[5-(2-cyanoethylcarbamoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[5-[[5-(2-cyanoethylcarbamoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[5-[[[5-[(2-cyanoethylamino)-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[5-[[5-(2-cyanoethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[5-[[5-(2-cyanoethylcarbamoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-keto-but-2-enoic acid Formula: C19H20N6O5 MolecularWeight: 412.3993

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC#N)C)NC(=O)C=CC(=O)O

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC#N)C)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C19H20N6O5/c1-24-11-13(9-14(24)18(29)21-7-3-6-20)23-19(30)15-8-12(10-25(15)2)22-16(26)4-5-17(27)28/h4-5,8-11H,3,7H2,1-2H3,(H,21,29)(H,22,26)(H,23,30)(H,27,28)/b5-4+