1-[(2S)-2-[(4-carbamimidoylphenyl)carbonylamino]propanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2S)-2-[(4-carbamimidoylphenyl)carbonylamino]propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2S)-2-[(4-carbamimidoylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[(2S)-2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-2-[(4-carbamimidoylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2S)-2-[(4-amidinobenzoyl)amino]propanoyl]isonipecotic acid Formula: C17H22N4O4 MolecularWeight: 346.38098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H22N4O4/c1-10(16(23)21-8-6-13(7-9-21)17(24)25)20-15(22)12-4-2-11(3-5-12)14(18)19/h2-5,10,13H,6-9H2,1H3,(H3,18,19)(H,20,22)(H,24,25)/t10-/m0/s1