tert-butyl N-[(2S,3S)-2-oxidanyl-5-phenyl-1-phenylsulfanyl-pentan-3-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3S)-2-oxidanyl-5-phenyl-1-phenylsulfanyl-pentan-3-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S)-2-hydroxy-1-phenethyl-3-phenylsulfanyl-propyl]carbamate CAS Name: N-[(2S,3S)-2-hydroxy-5-phenyl-1-(phenylthio)pentan-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S)-2-hydroxy-5-phenyl-1-phenylsulfanylpentan-3-yl]carbamate Traditional Name: N-[(1S,2S)-2-hydroxy-1-phenethyl-3-(phenylthio)propyl]carbamic acid tert-butyl ester Formula: C22H29NO3S MolecularWeight: 387.53556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC1=CC=CC=C1)C(CSC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC1=CC=CC=C1)[C@@H](CSC2=CC=CC=C2)O

InChI

InChI=1S/C22H29NO3S/c1-22(2,3)26-21(25)23-19(15-14-17-10-6-4-7-11-17)20(24)16-27-18-12-8-5-9-13-18/h4-13,19-20,24H,14-16H2,1-3H3,(H,23,25)/t19-,20+/m0/s1