2-[(4-carbamimidoylphenyl)carbamoylamino]pentanedioic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)carbamoylamino]pentanedioic acid Openeye Name: 2-[(4-carbamimidoylphenyl)carbamoylamino]pentanedioic acid CAS Name: 2-[[(4-carbamimidoylanilino)-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[(4-carbamimidoylphenyl)carbamoylamino]pentanedioic acid Traditional Name: 2-[(4-amidinophenyl)carbamoylamino]glutaric acid Formula: C13H16N4O5 MolecularWeight: 308.28994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O5/c14-11(15)7-1-3-8(4-2-7)16-13(22)17-9(12(20)21)5-6-10(18)19/h1-4,9H,5-6H2,(H3,14,15)(H,18,19)(H,20,21)(H2,16,17,22)