tert-butyl (2S)-3-tert-butylsulfanyl-2-[(4-methoxyphenyl)methoxycarbonylamino]-2-methyl-propanoate

Systemtic Name: tert-butyl (2S)-3-tert-butylsulfanyl-2-[(4-methoxyphenyl)methoxycarbonylamino]-2-methyl-propanoate Openeye Name: tert-butyl (2S)-3-tert-butylsulfanyl-2-[(4-methoxyphenyl)methoxycarbonylamino]-2-methyl-propanoate CAS Name: (2S)-3-(tert-butylthio)-2-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-2-methylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-tert-butylsulfanyl-2-[(4-methoxyphenyl)methoxycarbonylamino]-2-methylpropanoate Traditional Name: (2S)-3-(tert-butylthio)-2-methyl-2-(p-anisyloxycarbonylamino)propionic acid tert-butyl ester Formula: C21H33NO5S MolecularWeight: 411.55542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(CSC(C)(C)C)NC(=O)OCC1=CC=C(C=C1)OC

Isomeric SMILES

C[C@@](CSC(C)(C)C)(C(=O)OC(C)(C)C)NC(=O)OCC1=CC=C(C=C1)OC

InChI

InChI=1S/C21H33NO5S/c1-19(2,3)27-17(23)21(7,14-28-20(4,5)6)22-18(24)26-13-15-9-11-16(25-8)12-10-15/h9-12H,13-14H2,1-8H3,(H,22,24)/t21-/m1/s1