(2R)-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (2R)-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (2R)-2-(tert-butoxycarbonylamino)-3-(p-tolylmethylsulfanyl)propanoate CAS Name: (2R)-3-[(4-methylphenyl)methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoate IUPAC Name: (2R)-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-[(4-methylbenzyl)thio]propionate Formula: C16H22NO4S- MolecularWeight: 324.41518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(C(=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC[C@@H](C(=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H23NO4S/c1-11-5-7-12(8-6-11)9-22-10-13(14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/p-1/t13-/m0/s1