2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylmethyl]-5-phenyl-pentanoic acid

Systemtic Name: 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylmethyl]-5-phenyl-pentanoic acid Openeye Name: 2-[(1-tert-butoxycarbonyl-4-piperidyl)sulfanylmethyl]-5-phenyl-pentanoic acid CAS Name: 2-[[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]thio]methyl]-5-phenylpentanoic acid IUPAC Name: 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylmethyl]-5-phenylpentanoic acid Traditional Name: 2-[[(1-tert-butoxycarbonyl-4-piperidyl)thio]methyl]-5-phenyl-valeric acid Formula: C22H33NO4S MolecularWeight: 407.56672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)SCC(CCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)SCC(CCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H33NO4S/c1-22(2,3)27-21(26)23-14-12-19(13-15-23)28-16-18(20(24)25)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,18-19H,7,10-16H2,1-3H3,(H,24,25)