6-[[5-[[5-[[5-(2-cyanoethylcarbamoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[[5-[[5-[[5-(2-cyanoethylcarbamoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]pyridine-3-carboxylic acid Openeye Name: 6-[[5-[[5-[[5-(2-cyanoethylcarbamoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]pyridine-3-carboxylic acid CAS Name: 6-[[[5-[[[5-[[[5-[(2-cyanoethylamino)-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[[5-[[5-[[5-(2-cyanoethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]pyridine-3-carboxylic acid Traditional Name: 6-[[5-[[5-[[5-(2-cyanoethylcarbamoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]nicotinic acid Formula: C28H27N9O6 MolecularWeight: 585.57068

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC#N)C)C)NC(=O)C4=NC=C(C=C4)C(=O)O

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC#N)C)C)NC(=O)C4=NC=C(C=C4)C(=O)O

InChI

InChI=1S/C28H27N9O6/c1-35-14-18(9-21(35)25(39)30-8-4-7-29)33-27(41)23-11-19(15-37(23)3)34-26(40)22-10-17(13-36(22)2)32-24(38)20-6-5-16(12-31-20)28(42)43/h5-6,9-15H,4,8H2,1-3H3,(H,30,39)(H,32,38)(H,33,41)(H,34,40)(H,42,43)