2-[3-[(4-carbamimidoylphenyl)carbonylcarbamoylamino]-2-(carboxymethyloxy)phenoxy]ethanoate

Systemtic Name: 2-[3-[(4-carbamimidoylphenyl)carbonylcarbamoylamino]-2-(carboxymethyloxy)phenoxy]ethanoate Openeye Name: 2-[3-[(4-carbamimidoylbenzoyl)carbamoylamino]-2-(carboxymethyloxy)phenoxy]acetate CAS Name: 2-[3-[[[[(4-carbamimidoylphenyl)-oxomethyl]amino]-oxomethyl]amino]-2-(carboxymethyloxy)phenoxy]acetate IUPAC Name: 2-[3-[(4-carbamimidoylbenzoyl)carbamoylamino]-2-(carboxymethyloxy)phenoxy]acetate Traditional Name: 2-[3-[(4-amidinobenzoyl)carbamoylamino]-2-(carboxymethyloxy)phenoxy]acetate Formula: C19H17N4O8- MolecularWeight: 429.36028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)OCC(=O)[O-])OCC(=O)O)NC(=O)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC(=C(C(=C1)OCC(=O)[O-])OCC(=O)O)NC(=O)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H18N4O8/c20-17(21)10-4-6-11(7-5-10)18(28)23-19(29)22-12-2-1-3-13(30-8-14(24)25)16(12)31-9-15(26)27/h1-7H,8-9H2,(H3,20,21)(H,24,25)(H,26,27)(H2,22,23,28,29)/p-1