1-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]carbonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]carbonyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-(4-carbamimidoylphenyl)-2-oxo-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[3-(4-carbamimidoylphenyl)-2-oxo-5-oxazolidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(4-amidinophenyl)-2-keto-oxazolidine-5-carbonyl]isonipecotic acid Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C17H20N4O5/c18-14(19)10-1-3-12(4-2-10)21-9-13(26-17(21)25)15(22)20-7-5-11(6-8-20)16(23)24/h1-4,11,13H,5-9H2,(H3,18,19)(H,23,24)