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

Systemtic Name: 4-azanyl-1-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 4-amino-1-[[3-(4-carbamimidoylphenyl)-2-oxo-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid CAS Name: 4-amino-1-[[3-(4-carbamimidoylphenyl)-2-oxo-5-oxazolidinyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 4-amino-1-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[3-(4-amidinophenyl)-2-keto-oxazolidin-5-yl]methyl]-4-amino-isonipecotic acid Formula: C17H23N5O4 MolecularWeight: 361.39562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)O)N)CC2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1(C(=O)O)N)CC2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C17H23N5O4/c18-14(19)11-1-3-12(4-2-11)22-10-13(26-16(22)25)9-21-7-5-17(20,6-8-21)15(23)24/h1-4,13H,5-10,20H2,(H3,18,19)(H,23,24)