dimethyl 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]pentanedioate

Systemtic Name: dimethyl 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]pentanedioate Openeye Name: dimethyl 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]pentanedioate CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pentanedioate Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]glutaric acid dimethyl ester Formula: C18H24N4O6 MolecularWeight: 392.40636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

COC(=O)CC(CC(=O)OC)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C18H24N4O6/c1-27-16(25)9-13(10-17(26)28-2)22-15(24)8-7-14(23)21-12-5-3-11(4-6-12)18(19)20/h3-6,13H,7-10H2,1-2H3,(H3,19,20)(H,21,23)(H,22,24)