1-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoyl]-4-oxidanylidene-piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoyl]-4-oxidanylidene-piperidine-3-carboxylic acid Openeye Name: 1-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]acetyl]-4-oxo-piperidine-3-carboxylic acid CAS Name: 1-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]-4-oxo-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]-4-oxopiperidine-3-carboxylic acid Traditional Name: 1-[2-[3-(4-amidinophenyl)-2-isoxazolin-5-yl]acetyl]-4-keto-nipecotic acid Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1=O)C(=O)O)C(=O)CC2CC(=NO2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CC(C1=O)C(=O)O)C(=O)CC2CC(=NO2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H20N4O5/c19-17(20)11-3-1-10(2-4-11)14-7-12(27-21-14)8-16(24)22-6-5-15(23)13(9-22)18(25)26/h1-4,12-13H,5-9H2,(H3,19,20)(H,25,26)