(2S)-2-azaniumyl-3-methyl-3-(triphenylmethyl)sulfanyl-butanoate

Systemtic Name: (2S)-2-azaniumyl-3-methyl-3-(triphenylmethyl)sulfanyl-butanoate Openeye Name: (2S)-2-azaniumyl-3-methyl-3-tritylsulfanyl-butanoate CAS Name: (2S)-2-ammonio-3-methyl-3-[(triphenylmethyl)thio]butanoate IUPAC Name: (2S)-2-azaniumyl-3-methyl-3-tritylsulfanylbutanoate Traditional Name: (2S)-2-ammonio-3-methyl-3-(tritylthio)butyrate Formula: C24H25NO2S MolecularWeight: 391.5258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)[O-])[NH3+])SC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)([C@H](C(=O)[O-])[NH3+])SC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H25NO2S/c1-23(2,21(25)22(26)27)28-24(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21H,25H2,1-2H3,(H,26,27)/t21-/m0/s1