3-[(4-aminocarbonylphenyl)carbonylamino]-4-(3-carbamimidoylphenoxy)butanoic acid

Systemtic Name: 3-[(4-aminocarbonylphenyl)carbonylamino]-4-(3-carbamimidoylphenoxy)butanoic acid Openeye Name: 4-(3-carbamimidoylphenoxy)-3-[(4-carbamoylbenzoyl)amino]butanoic acid CAS Name: 4-(3-carbamimidoylphenoxy)-3-[[(4-carbamoylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-(3-carbamimidoylphenoxy)-3-[(4-carbamoylbenzoyl)amino]butanoic acid Traditional Name: 4-(3-amidinophenoxy)-3-[(4-carbamoylbenzoyl)amino]butyric acid Formula: C19H20N4O5 MolecularWeight: 384.3859

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(CC(=O)O)NC(=O)C2=CC=C(C=C2)C(=O)N)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)OCC(CC(=O)O)NC(=O)C2=CC=C(C=C2)C(=O)N)C(=N)N

InChI

InChI=1S/C19H20N4O5/c20-17(21)13-2-1-3-15(8-13)28-10-14(9-16(24)25)23-19(27)12-6-4-11(5-7-12)18(22)26/h1-8,14H,9-10H2,(H3,20,21)(H2,22,26)(H,23,27)(H,24,25)