2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylsulfanyl-piperidin-3-yl]methylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylsulfanyl-piperidin-3-yl]methylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(1-tert-butoxycarbonyl-3-phenylsulfanyl-3-piperidyl)methylamino]-3-phenyl-propanoic acid CAS Name: 2-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-(phenylthio)-3-piperidinyl]methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylsulfanylpiperidin-3-yl]methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[1-tert-butoxycarbonyl-3-(phenylthio)-3-piperidyl]methylamino]-3-phenyl-propionic acid Formula: C26H34N2O4S MolecularWeight: 470.62416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)(CNC(CC2=CC=CC=C2)C(=O)O)SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)(CNC(CC2=CC=CC=C2)C(=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C26H34N2O4S/c1-25(2,3)32-24(31)28-16-10-15-26(19-28,33-21-13-8-5-9-14-21)18-27-22(23(29)30)17-20-11-6-4-7-12-20/h4-9,11-14,22,27H,10,15-19H2,1-3H3,(H,29,30)