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

Systemtic Name: 2-[[4-(4-carbamimidoylphenyl)-2-oxidanylidene-1H-imidazol-3-yl]-ethanoyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[acetyl-[5-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]amino]-3-phenyl-propionic acid Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(CC1=CC=CC=C1)C(=O)O)N2C(=CNC2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(=O)N(C(CC1=CC=CC=C1)C(=O)O)N2C(=CNC2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H21N5O4/c1-13(27)25(17(20(28)29)11-14-5-3-2-4-6-14)26-18(12-24-21(26)30)15-7-9-16(10-8-15)19(22)23/h2-10,12,17H,11H2,1H3,(H3,22,23)(H,24,30)(H,28,29)