tert-butyl 3,3,4,4-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(triphenylmethyl)sulfanyl-butanoate

Systemtic Name: tert-butyl 3,3,4,4-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(triphenylmethyl)sulfanyl-butanoate Openeye Name: tert-butyl 2-(tert-butoxycarbonylamino)-3,3,4,4-tetradeuterio-4-tritylsulfanyl-butanoate CAS Name: 3,3,4,4-tetradeuterio-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-[(triphenylmethyl)thio]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 3,3,4,4-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-tritylsulfanylbutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3,3,4,4-tetradeuterio-4-(tritylthio)butyric acid tert-butyl ester Formula: C32H39NO4S MolecularWeight: 537.746007

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

[2H]C([2H])(C(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C([2H])([2H])SC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C32H39NO4S/c1-30(2,3)36-28(34)27(33-29(35)37-31(4,5)6)22-23-38-32(24-16-10-7-11-17-24,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-21,27H,22-23H2,1-6H3,(H,33,35)/i22D2,23D2