3-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]ethanoylamino]pentanedioic acid

Systemtic Name: 3-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]ethanoylamino]pentanedioic acid Openeye Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]acetyl]amino]pentanedioic acid CAS Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]pentanedioic acid Traditional Name: 3-[[2-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]acetyl]amino]glutaric acid Formula: C17H21N5O6 MolecularWeight: 391.37854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1CC(=O)NC(CC(=O)O)CC(=O)O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1CN(C(=O)N1CC(=O)NC(CC(=O)O)CC(=O)O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H21N5O6/c18-16(19)10-1-3-12(4-2-10)22-6-5-21(17(22)28)9-13(23)20-11(7-14(24)25)8-15(26)27/h1-4,11H,5-9H2,(H3,18,19)(H,20,23)(H,24,25)(H,26,27)