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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)N2C=CN(C2=O)CC(=O)NC(CC(=O)O)C3=COC=C3

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)N2C=CN(C2=O)CC(=O)NC(CC(=O)O)C3=COC=C3

InChI

InChI=1S/C19H19N5O5/c20-18(21)12-1-3-14(4-2-12)24-7-6-23(19(24)28)10-16(25)22-15(9-17(26)27)13-5-8-29-11-13/h1-8,11,15H,9-10H2,(H3,20,21)(H,22,25)(H,26,27)