(3R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(phenylmethylsulfanyl)piperidine-4-carboxylic acid

Systemtic Name: (3R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(phenylmethylsulfanyl)piperidine-4-carboxylic acid Openeye Name: (3R,4S)-3-benzylsulfanyl-1-tert-butoxycarbonyl-piperidine-4-carboxylic acid CAS Name: (3R,4S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-(phenylmethylthio)-4-piperidinecarboxylic acid IUPAC Name: (3R,4S)-3-benzylsulfanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Traditional Name: (3R,4S)-3-(benzylthio)-1-tert-butoxycarbonyl-isonipecotic acid Formula: C18H25NO4S MolecularWeight: 351.4604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C(C1)SCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@H]([C@H](C1)SCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H25NO4S/c1-18(2,3)23-17(22)19-10-9-14(16(20)21)15(11-19)24-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,20,21)/t14-,15+/m1/s1