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

Systemtic Name: 4-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]ethanoylamino]butanoic acid Openeye Name: 4-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-imidazol-1-yl]acetyl]amino]butanoic acid CAS Name: 4-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolyl]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-[3-(4-carbamimidoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]butanoic acid Traditional Name: 4-[[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:

C1=CC(=CC=C1C(=N)N)N2C=CN(C2=O)CC(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)N2C=CN(C2=O)CC(=O)NCCCC(=O)O

InChI

InChI=1S/C16H19N5O4/c17-15(18)11-3-5-12(6-4-11)21-9-8-20(16(21)25)10-13(22)19-7-1-2-14(23)24/h3-6,8-9H,1-2,7,10H2,(H3,17,18)(H,19,22)(H,23,24)