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

Systemtic Name: 3-[[4-(4-carbamimidoylphenyl)-2-oxidanylidene-1H-imidazol-3-yl]-ethanoyl-amino]propanoic acid Openeye Name: 3-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]propanoic acid CAS Name: 3-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]propanoic acid IUPAC Name: 3-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]propanoic acid Traditional Name: 3-[acetyl-[5-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]amino]propionic acid Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O4/c1-9(21)19(7-6-13(22)23)20-12(8-18-15(20)24)10-2-4-11(5-3-10)14(16)17/h2-5,8H,6-7H2,1H3,(H3,16,17)(H,18,24)(H,22,23)