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

Systemtic Name: 2-[[4-(4-carbamimidoylphenyl)-2-oxidanylidene-1H-imidazol-3-yl]-propanoyl-amino]propanoic acid Openeye Name: 2-[[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]-propanoyl-amino]propanoic acid CAS Name: 2-[[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]-(1-oxopropyl)amino]propanoic acid IUPAC Name: 2-[[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]-propanoylamino]propanoic acid Traditional Name: 2-[[5-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]-propionyl-amino]propionic acid Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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