4-[3-[2-(4-carbamimidoylphenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-imidazolidin-1-yl]butanoic acid

Systemtic Name: 4-[3-[2-(4-carbamimidoylphenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-imidazolidin-1-yl]butanoic acid Openeye Name: 4-[3-[2-(4-carbamimidoylphenyl)-2-hydroxy-ethyl]-2-oxo-imidazolidin-1-yl]butanoic acid CAS Name: 4-[3-[2-(4-carbamimidoylphenyl)-2-hydroxyethyl]-2-oxo-1-imidazolidinyl]butanoic acid IUPAC Name: 4-[3-[2-(4-carbamimidoylphenyl)-2-hydroxyethyl]-2-oxoimidazolidin-1-yl]butanoic acid Traditional Name: 4-[3-[2-(4-amidinophenyl)-2-hydroxy-ethyl]-2-keto-imidazolidin-1-yl]butyric acid Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1CCCC(=O)O)CC(C2=CC=C(C=C2)C(=N)N)O

Isomeric SMILES

C1CN(C(=O)N1CCCC(=O)O)CC(C2=CC=C(C=C2)C(=N)N)O

InChI

InChI=1S/C16H22N4O4/c17-15(18)12-5-3-11(4-6-12)13(21)10-20-9-8-19(16(20)24)7-1-2-14(22)23/h3-6,13,21H,1-2,7-10H2,(H3,17,18)(H,22,23)