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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1C(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]([C@H]1C(=O)O)SCC2=CC=CC=C2

InChI

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