2-[1-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]ethyl]butanedioic acid

Systemtic Name: 2-[1-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]ethyl]butanedioic acid Openeye Name: 2-[1-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]ethyl]butanedioic acid CAS Name: 2-[1-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]ethyl]butanedioic acid IUPAC Name: 2-[1-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]ethyl]butanedioic acid Traditional Name: 2-[1-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]ethyl]succinic acid Formula: C17H22N4O6 MolecularWeight: 378.37978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O6/c1-9(12(17(26)27)8-15(24)25)20-13(22)6-7-14(23)21-11-4-2-10(3-5-11)16(18)19/h2-5,9,12H,6-8H2,1H3,(H3,18,19)(H,20,22)(H,21,23)(H,24,25)(H,26,27)