2-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]carbonylamino]-3-(4-methoxyphenyl)propanoic acid

Systemtic Name: 2-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]carbonylamino]-3-(4-methoxyphenyl)propanoic acid Openeye Name: 2-[[3-(4-carbamimidoylphenyl)-2-oxo-oxazolidine-5-carbonyl]amino]-3-(4-methoxyphenyl)propanoic acid CAS Name: 2-[[[3-(4-carbamimidoylphenyl)-2-oxo-5-oxazolidinyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 2-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]amino]-3-(4-methoxyphenyl)propanoic acid Traditional Name: 2-[[3-(4-amidinophenyl)-2-keto-oxazolidine-5-carbonyl]amino]-3-(4-methoxyphenyl)propionic acid Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H22N4O6/c1-30-15-8-2-12(3-9-15)10-16(20(27)28)24-19(26)17-11-25(21(29)31-17)14-6-4-13(5-7-14)18(22)23/h2-9,16-17H,10-11H2,1H3,(H3,22,23)(H,24,26)(H,27,28)