(2R,3R)-15-methyl-2-[[(3R)-15-methyl-3-oxidanyl-hexadecanoyl]amino]-3-oxidanyl-hexadecane-1-sulfinate

Systemtic Name: (2R,3R)-15-methyl-2-[[(3R)-15-methyl-3-oxidanyl-hexadecanoyl]amino]-3-oxidanyl-hexadecane-1-sulfinate Openeye Name: (2R,3R)-3-hydroxy-2-[[(3R)-3-hydroxy-15-methyl-hexadecanoyl]amino]-15-methyl-hexadecane-1-sulfinate CAS Name: (2R,3R)-3-hydroxy-2-[[(3R)-3-hydroxy-15-methyl-1-oxohexadecyl]amino]-15-methyl-1-hexadecanesulfinate IUPAC Name: (2R,3R)-3-hydroxy-2-[[(3R)-3-hydroxy-15-methylhexadecanoyl]amino]-15-methylhexadecane-1-sulfinate Traditional Name: (2R,3R)-3-hydroxy-2-[[(3R)-3-hydroxy-15-methyl-hexadecanoyl]amino]-15-methyl-hexadecane-1-sulfinate Formula: C34H68NO5S- MolecularWeight: 602.97242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(CC(=O)NC(CS(=O)[O-])C(CCCCCCCCCCCC(C)C)O)O

Isomeric SMILES

CC(C)CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CS(=O)[O-])[C@@H](CCCCCCCCCCCC(C)C)O)O

InChI

InChI=1S/C34H69NO5S/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-31(36)27-34(38)35-32(28-41(39)40)33(37)26-22-18-14-10-6-8-12-16-20-24-30(3)4/h29-33,36-37H,5-28H2,1-4H3,(H,35,38)(H,39,40)/p-1/t31-,32+,33-/m1/s1