(2R)-2-(hexadecanoylamino)-3-(1-methoxy-2-oxidanyl-propan-2-yl)sulfanyl-propanoic acid

Systemtic Name: (2R)-2-(hexadecanoylamino)-3-(1-methoxy-2-oxidanyl-propan-2-yl)sulfanyl-propanoic acid Openeye Name: (2R)-2-(hexadecanoylamino)-3-(1-hydroxy-2-methoxy-1-methyl-ethyl)sulfanyl-propanoic acid CAS Name: (2R)-3-[(2-hydroxy-1-methoxypropan-2-yl)thio]-2-(1-oxohexadecylamino)propanoic acid IUPAC Name: (2R)-2-(hexadecanoylamino)-3-(2-hydroxy-1-methoxypropan-2-yl)sulfanylpropanoic acid Traditional Name: (2R)-3-[(1-hydroxy-2-methoxy-1-methyl-ethyl)thio]-2-palmitamido-propionic acid Formula: C23H45NO5S MolecularWeight: 447.6721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CSC(C)(COC)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CSC(C)(COC)O)C(=O)O

InChI

InChI=1S/C23H45NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(22(26)27)18-30-23(2,28)19-29-3/h20,28H,4-19H2,1-3H3,(H,24,25)(H,26,27)/t20-,23?/m0/s1