methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-methylsulfonyloxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-methylsulfonyloxyphenyl)propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-(4-methylsulfonyloxyphenyl)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-methylsulfonyloxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-methylsulfonyloxyphenyl)propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-methylsulfonyloxyphenyl)propionic acid methyl ester Formula: C16H23NO7S MolecularWeight: 373.42132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C16H23NO7S/c1-16(2,3)23-15(19)17-13(14(18)22-4)10-11-6-8-12(9-7-11)24-25(5,20)21/h6-9,13H,10H2,1-5H3,(H,17,19)/t13-/m0/s1