2-[[4-(4-carbamimidoylphenyl)-2-oxidanylidene-1H-imidazol-3-yl]-ethanoyl-amino]butanoic acid

Systemtic Name: 2-[[4-(4-carbamimidoylphenyl)-2-oxidanylidene-1H-imidazol-3-yl]-ethanoyl-amino]butanoic acid Openeye Name: 2-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]butanoic acid CAS Name: 2-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]butanoic acid IUPAC Name: 2-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]butanoic acid Traditional Name: 2-[acetyl-[5-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]amino]butyric acid Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(C(=O)C)N1C(=CNC1=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCC(C(=O)O)N(C(=O)C)N1C(=CNC1=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C16H19N5O4/c1-3-12(15(23)24)20(9(2)22)21-13(8-19-16(21)25)10-4-6-11(7-5-10)14(17)18/h4-8,12H,3H2,1-2H3,(H3,17,18)(H,19,25)(H,23,24)