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

Systemtic Name: 3-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]ethanoylamino]butanoic acid Openeye Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-imidazol-1-yl]acetyl]amino]butanoic acid CAS Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolyl]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]butanoic acid Traditional Name: 3-[[2-[3-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]acetyl]amino]butyric acid Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CN1C=CN(C1=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(CC(=O)O)NC(=O)CN1C=CN(C1=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C16H19N5O4/c1-10(8-14(23)24)19-13(22)9-20-6-7-21(16(20)25)12-4-2-11(3-5-12)15(17)18/h2-7,10H,8-9H2,1H3,(H3,17,18)(H,19,22)(H,23,24)