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

Systemtic Name: (2S)-2-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]butanedioic acid CAS Name: (2S)-2-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]succinic acid Formula: C15H18N4O6 MolecularWeight: 350.32662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)NC(=O)CCC(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)NC(=O)CCC(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C15H18N4O6/c16-14(17)8-1-3-9(4-2-8)18-11(20)5-6-12(21)19-10(15(24)25)7-13(22)23/h1-4,10H,5-7H2,(H3,16,17)(H,18,20)(H,19,21)(H,22,23)(H,24,25)/t10-/m0/s1