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

Systemtic Name: 2-[[4-(4-carbamimidoylphenyl)-2-oxidanylidene-1H-imidazol-3-yl]-ethanoyl-amino]pent-4-enoic acid Openeye Name: 2-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]pent-4-enoic acid CAS Name: 2-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]-4-pentenoic acid IUPAC Name: 2-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]pent-4-enoic acid Traditional Name: 2-[acetyl-[5-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]amino]pent-4-enoic acid Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4/c1-3-4-13(16(24)25)21(10(2)23)22-14(9-20-17(22)26)11-5-7-12(8-6-11)15(18)19/h3,5-9,13H,1,4H2,2H3,(H3,18,19)(H,20,26)(H,24,25)