tert-butyl N-[(2S)-1-dimethoxyphosphoryloxy-3-hexadecylsulfanyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-dimethoxyphosphoryloxy-3-hexadecylsulfanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(dimethoxyphosphoryloxymethyl)-2-hexadecylsulfanyl-ethyl]carbamate CAS Name: N-[(2S)-1-dimethoxyphosphoryloxy-3-(hexadecylthio)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-dimethoxyphosphoryloxy-3-hexadecylsulfanylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(cetylthio)methyl]-2-dimethoxyphosphoryloxy-ethyl]carbamic acid tert-butyl ester Formula: C26H54NO6PS MolecularWeight: 539.748821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(COP(=O)(OC)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSC[C@H](COP(=O)(OC)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H54NO6PS/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35-23-24(22-32-34(29,30-5)31-6)27-25(28)33-26(2,3)4/h24H,7-23H2,1-6H3,(H,27,28)/t24-/m0/s1