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

Systemtic Name: 4-[[4-(4-carbamimidoylphenyl)-2-oxidanylidene-1H-imidazol-3-yl]-ethanoyl-amino]butanoic acid Openeye Name: 4-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]butanoic acid CAS Name: 4-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]butanoic acid IUPAC Name: 4-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]butanoic acid Traditional Name: 4-[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:

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

Isomeric SMILES

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

InChI

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