methyl (2S,3S)-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Systemtic Name: methyl (2S,3S)-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Openeye Name: methyl (2S,3S)-3-(tert-butoxycarbonylamino)-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-hexanoate CAS Name: (2S,3S)-2-[(4-methoxyphenyl)methylthio]-5-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Traditional Name: (2S,3S)-3-(tert-butoxycarbonylamino)-5-methyl-2-(p-anisylthio)hexanoic acid methyl ester Formula: C21H33NO5S MolecularWeight: 411.55542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(=O)OC)SCC1=CC=C(C=C1)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H]([C@@H](C(=O)OC)SCC1=CC=C(C=C1)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H33NO5S/c1-14(2)12-17(22-20(24)27-21(3,4)5)18(19(23)26-7)28-13-15-8-10-16(25-6)11-9-15/h8-11,14,17-18H,12-13H2,1-7H3,(H,22,24)/t17-,18-/m0/s1