3-[4-[(4-carbamimidoylphenyl)carbamoylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-[(4-carbamimidoylphenyl)carbamoylamino]phenyl]propanoic acid Openeye Name: 3-[4-[(4-carbamimidoylphenyl)carbamoylamino]phenyl]propanoic acid CAS Name: 3-[4-[[(4-carbamimidoylanilino)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-[(4-carbamimidoylphenyl)carbamoylamino]phenyl]propanoic acid Traditional Name: 3-[4-[(4-amidinophenyl)carbamoylamino]phenyl]propionic acid Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)NC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)NC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H18N4O3/c18-16(19)12-4-8-14(9-5-12)21-17(24)20-13-6-1-11(2-7-13)3-10-15(22)23/h1-2,4-9H,3,10H2,(H3,18,19)(H,22,23)(H2,20,21,24)