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

Systemtic Name: ethyl 4-[[4-[[4-(4-azanylbutanoylamino)-1-methyl-imidazol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxylate Openeye Name: ethyl 4-[[4-[[4-(4-aminobutanoylamino)-1-methyl-imidazole-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-imidazolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[[4-(4-aminobutanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carboxylate Traditional Name: 4-[[4-[[4-(4-aminobutanoylamino)-1-methyl-imidazole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-imidazole-2-carboxylic acid ethyl ester Formula: C22H29N9O5 MolecularWeight: 499.52296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)C3=NC(=CN3C)NC(=O)CCCN

Isomeric SMILES

CCOC(=O)C1=NC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)C3=NC(=CN3C)NC(=O)CCCN

InChI

InChI=1S/C22H29N9O5/c1-5-36-22(35)19-27-16(12-31(19)4)28-20(33)14-9-13(10-29(14)2)24-21(34)18-26-15(11-30(18)3)25-17(32)7-6-8-23/h9-12H,5-8,23H2,1-4H3,(H,24,34)(H,25,32)(H,28,33)