2-azanyl-4-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-ethyl-3-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-4-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-ethyl-3-oxidanylidene-butanoic acid Openeye Name: 2-amino-4-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-2-ethyl-3-oxo-butanoic acid CAS Name: 2-amino-4-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-2-ethyl-3-oxobutanoic acid IUPAC Name: 2-amino-4-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-ethyl-3-oxobutanoic acid Traditional Name: 4-[3-(4-amidinophenyl)-2-isoxazolin-5-yl]-2-amino-2-ethyl-3-keto-butyric acid Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)CC1CC(=NO1)C2=CC=C(C=C2)C(=N)N)(C(=O)O)N

Isomeric SMILES

CCC(C(=O)CC1CC(=NO1)C2=CC=C(C=C2)C(=N)N)(C(=O)O)N

InChI

InChI=1S/C16H20N4O4/c1-2-16(19,15(22)23)13(21)8-11-7-12(20-24-11)9-3-5-10(6-4-9)14(17)18/h3-6,11H,2,7-8,19H2,1H3,(H3,17,18)(H,22,23)