2-[(4-aminocarbonylphenyl)carbonylamino]-4-(3-carbamimidoylphenoxy)butanoic acid

Systemtic Name: 2-[(4-aminocarbonylphenyl)carbonylamino]-4-(3-carbamimidoylphenoxy)butanoic acid Openeye Name: 4-(3-carbamimidoylphenoxy)-2-[(4-carbamoylbenzoyl)amino]butanoic acid CAS Name: 4-(3-carbamimidoylphenoxy)-2-[[(4-carbamoylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-(3-carbamimidoylphenoxy)-2-[(4-carbamoylbenzoyl)amino]butanoic acid Traditional Name: 4-(3-amidinophenoxy)-2-[(4-carbamoylbenzoyl)amino]butyric acid Formula: C19H20N4O5 MolecularWeight: 384.3859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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