(2R,3R)-15-methyl-2-(13-methyltetradecanoylamino)-3-oxidanyl-hexadecane-1-sulfonic acid

Systemtic Name: (2R,3R)-15-methyl-2-(13-methyltetradecanoylamino)-3-oxidanyl-hexadecane-1-sulfonic acid Openeye Name: (2R,3R)-3-hydroxy-15-methyl-2-(13-methyltetradecanoylamino)hexadecane-1-sulfonic acid CAS Name: (2R,3R)-3-hydroxy-15-methyl-2-[(13-methyl-1-oxotetradecyl)amino]-1-hexadecanesulfonic acid IUPAC Name: (2R,3R)-3-hydroxy-15-methyl-2-(13-methyltetradecanoylamino)hexadecane-1-sulfonic acid Traditional Name: (2R,3R)-3-hydroxy-15-methyl-2-(13-methyltetradecanoylamino)hexadecane-1-sulfonic acid Formula: C32H65NO5S MolecularWeight: 575.9272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(C(CS(=O)(=O)O)NC(=O)CCCCCCCCCCCC(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C32H65NO5S/c1-28(2)23-19-15-11-7-5-9-13-17-21-25-31(34)30(27-39(36,37)38)33-32(35)26-22-18-14-10-6-8-12-16-20-24-29(3)4/h28-31,34H,5-27H2,1-4H3,(H,33,35)(H,36,37,38)/t30-,31+/m0/s1