methyl 4-[[4-[[4-(4-azanylbutanoylamino)-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxylate

Systemtic Name: methyl 4-[[4-[[4-(4-azanylbutanoylamino)-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxylate Openeye Name: methyl 4-[[4-[[4-(4-aminobutanoylamino)-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-imidazole-2-carboxylate CAS Name: 4-[[[4-[[[4-[(4-amino-1-oxobutyl)amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-[[4-(4-aminobutanoylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carboxylate Traditional Name: 4-[[4-[[4-(4-aminobutanoylamino)-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-imidazole-2-carboxylic acid methyl ester Formula: C22H28N8O5 MolecularWeight: 484.50832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=N3)C(=O)OC)C)C)NC(=O)CCCN

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=N3)C(=O)OC)C)C)NC(=O)CCCN

InChI

InChI=1S/C22H28N8O5/c1-28-10-13(24-18(31)6-5-7-23)8-15(28)20(32)25-14-9-16(29(2)11-14)21(33)27-17-12-30(3)19(26-17)22(34)35-4/h8-12H,5-7,23H2,1-4H3,(H,24,31)(H,25,32)(H,27,33)