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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)OC)C)NC(=O)C3=NC(=CN3C)NC(=O)CCCN

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)OC)C)NC(=O)C3=NC(=CN3C)NC(=O)CCCN

InChI

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