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

Systemtic Name: (2R)-2-(hexadecanoylamino)-3-(1-hexadecoxy-2-oxidanyl-propan-2-yl)sulfanyl-propanoic acid Openeye Name: (2R)-2-(hexadecanoylamino)-3-(2-hexadecoxy-1-hydroxy-1-methyl-ethyl)sulfanyl-propanoic acid CAS Name: (2R)-3-[(1-hexadecoxy-2-hydroxypropan-2-yl)thio]-2-(1-oxohexadecylamino)propanoic acid IUPAC Name: (2R)-2-(hexadecanoylamino)-3-(1-hexadecoxy-2-hydroxypropan-2-yl)sulfanylpropanoic acid Traditional Name: (2R)-3-[(2-cetyloxy-1-hydroxy-1-methyl-ethyl)thio]-2-palmitamido-propionic acid Formula: C38H75NO5S MolecularWeight: 658.0708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(C)(O)SCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(C)(O)SC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C38H75NO5S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-44-34-38(3,43)45-33-35(37(41)42)39-36(40)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h35,43H,4-34H2,1-3H3,(H,39,40)(H,41,42)/t35-,38?/m0/s1