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

Systemtic Name: 3-[2-[[4-(4-carbamimidoylphenyl)-2-oxidanylidene-1H-imidazol-3-yl]-ethanoyl-amino]furan-3-yl]propanoic acid Openeye Name: 3-[2-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]-3-furyl]propanoic acid CAS Name: 3-[2-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]-3-furanyl]propanoic acid IUPAC Name: 3-[2-[acetyl-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]amino]furan-3-yl]propanoic acid Traditional Name: 3-[2-[acetyl-[5-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]amino]-3-furyl]propionic acid Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=C(C=CO1)CCC(=O)O)N2C(=CNC2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(=O)N(C1=C(C=CO1)CCC(=O)O)N2C(=CNC2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H19N5O5/c1-11(25)23(18-14(8-9-29-18)6-7-16(26)27)24-15(10-22-19(24)28)12-2-4-13(5-3-12)17(20)21/h2-5,8-10H,6-7H2,1H3,(H3,20,21)(H,22,28)(H,26,27)