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

Systemtic Name: 2-[[4-(4-carbamimidoylphenyl)-2-oxidanylidene-1H-imidazol-3-yl]-ethanoyl-amino]propanoic acid Openeye Name: 2-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]propanoic acid CAS Name: 2-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]propanoic acid IUPAC Name: 2-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]propanoic acid Traditional Name: 2-[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(C(=O)O)N(C(=O)C)N1C(=CNC1=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O4/c1-8(14(22)23)19(9(2)21)20-12(7-18-15(20)24)10-3-5-11(6-4-10)13(16)17/h3-8H,1-2H3,(H3,16,17)(H,18,24)(H,22,23)