2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-3-phenylsulfanyl-propanoic acid

Systemtic Name: 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-3-phenylsulfanyl-propanoic acid Openeye Name: 2-[(1-tert-butoxycarbonyl-4-piperidyl)methyl]-3-phenylsulfanyl-propanoic acid CAS Name: 2-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]methyl]-3-(phenylthio)propanoic acid IUPAC Name: 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-3-phenylsulfanylpropanoic acid Traditional Name: 2-[(1-tert-butoxycarbonyl-4-piperidyl)methyl]-3-(phenylthio)propionic acid Formula: C20H29NO4S MolecularWeight: 379.51356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CC(CSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CC(CSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H29NO4S/c1-20(2,3)25-19(24)21-11-9-15(10-12-21)13-16(18(22)23)14-26-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3,(H,22,23)