4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-(phenylmethyl)amino]butanoic acid Openeye Name: 4-[benzyl-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]butanoic acid CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-(phenylmethyl)amino]butanoic acid IUPAC Name: 4-[benzyl-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]butanoic acid Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]-benzyl-amino]butyric acid Formula: C24H30N4O3 MolecularWeight: 422.52

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N(CCCC(=O)O)CC2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1C(=O)N(CCCC(=O)O)CC2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H30N4O3/c25-23(26)19-8-10-21(11-9-19)27-15-12-20(13-16-27)24(31)28(14-4-7-22(29)30)17-18-5-2-1-3-6-18/h1-3,5-6,8-11,20H,4,7,12-17H2,(H3,25,26)(H,29,30)