4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylamino]butanoic acid

Systemtic Name: 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylamino]butanoic acid Openeye Name: 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]butanoic acid CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]butanoic acid Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]amino]butyric acid Formula: C17H24N4O3 MolecularWeight: 332.39746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3/c18-16(19)12-3-5-14(6-4-12)21-10-7-13(8-11-21)17(24)20-9-1-2-15(22)23/h3-6,13H,1-2,7-11H2,(H3,18,19)(H,20,24)(H,22,23)