4-[[(Z)-4-[[5-[[5-(2-cyanoethylcarbamoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-but-2-enoyl]amino]-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-[[(Z)-4-[[5-[[5-(2-cyanoethylcarbamoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-but-2-enoyl]amino]-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-[[(Z)-4-[[5-[[5-(2-cyanoethylcarbamoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxo-but-2-enoyl]amino]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[[(Z)-4-[[5-[[[5-[(2-cyanoethylamino)-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-1,4-dioxobut-2-enyl]amino]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-[[(Z)-4-[[5-[[5-(2-cyanoethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobut-2-enoyl]amino]-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-[[(Z)-4-[[5-[[5-(2-cyanoethylcarbamoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-keto-but-2-enoyl]amino]-1-methyl-pyrrole-2-carboxylic acid Formula: C25H26N8O6 MolecularWeight: 534.52394

Click to see the large picture

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)NC3=CN(C(=C3)C(=O)O)C

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC#N)C)NC(=O)/C=C\C(=O)NC3=CN(C(=C3)C(=O)O)C

InChI

InChI=1S/C25H26N8O6/c1-31-14-17(10-18(31)23(36)27-8-4-7-26)30-24(37)19-9-15(12-32(19)2)28-21(34)5-6-22(35)29-16-11-20(25(38)39)33(3)13-16/h5-6,9-14H,4,8H2,1-3H3,(H,27,36)(H,28,34)(H,29,35)(H,30,37)(H,38,39)/b6-5-