N-[(2S,3S)-1,3-bis(oxidanyl)-4-tridecylsulfanyl-butan-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[(2S,3S)-1,3-bis(oxidanyl)-4-tridecylsulfanyl-butan-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-3-tridecylsulfanyl-propyl]-2,2-dimethyl-propanamide CAS Name: N-[(2S,3S)-1,3-dihydroxy-4-(tridecylthio)butan-2-yl]-2,2-dimethylpropanamide IUPAC Name: N-[(2S,3S)-1,3-dihydroxy-4-tridecylsulfanylbutan-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[(1S,2S)-2-hydroxy-1-methylol-3-(tridecylthio)propyl]-2,2-dimethyl-propionamide Formula: C22H45NO3S MolecularWeight: 403.6626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCSCC(C(CO)NC(=O)C(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCSC[C@H]([C@H](CO)NC(=O)C(C)(C)C)O

InChI

InChI=1S/C22H45NO3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-27-18-20(25)19(17-24)23-21(26)22(2,3)4/h19-20,24-25H,5-18H2,1-4H3,(H,23,26)/t19-,20+/m0/s1