1-[3-[(4-carbamimidoylphenyl)carbonylamino]propanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-[(4-carbamimidoylphenyl)carbonylamino]propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-[(4-carbamimidoylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[(4-carbamimidoylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-[(4-amidinobenzoyl)amino]propanoyl]isonipecotic acid Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CCNC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CCNC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H22N4O4/c18-15(19)11-1-3-12(4-2-11)16(23)20-8-5-14(22)21-9-6-13(7-10-21)17(24)25/h1-4,13H,5-10H2,(H3,18,19)(H,20,23)(H,24,25)