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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylsulfanyl-piperidin-3-yl]methylamino]propanoic acid Openeye Name: 2-[(1-tert-butoxycarbonyl-3-phenylsulfanyl-3-piperidyl)methylamino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-(phenylthio)-3-piperidinyl]methylamino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylsulfanylpiperidin-3-yl]methylamino]propanoic acid Traditional Name: 2-[[1-tert-butoxycarbonyl-3-(phenylthio)-3-piperidyl]methylamino]-3-(4-hydroxyphenyl)propionic acid Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O5S/c1-25(2,3)33-24(32)28-15-7-14-26(18-28,34-21-8-5-4-6-9-21)17-27-22(23(30)31)16-19-10-12-20(29)13-11-19/h4-6,8-13,22,27,29H,7,14-18H2,1-3H3,(H,30,31)