(2R)-3-(1-butoxy-2-octadecanoyloxy-propan-2-yl)sulfanyl-2-(hexadecanoylamino)propanoic acid

Systemtic Name: (2R)-3-(1-butoxy-2-octadecanoyloxy-propan-2-yl)sulfanyl-2-(hexadecanoylamino)propanoic acid Openeye Name: (2R)-3-(2-butoxy-1-methyl-1-octadecanoyloxy-ethyl)sulfanyl-2-(hexadecanoylamino)propanoic acid CAS Name: (2R)-3-[[1-butoxy-2-(1-oxooctadecoxy)propan-2-yl]thio]-2-(1-oxohexadecylamino)propanoic acid IUPAC Name: (2R)-3-(1-butoxy-2-octadecanoyloxypropan-2-yl)sulfanyl-2-(hexadecanoylamino)propanoic acid Traditional Name: (2R)-3-[(2-butoxy-1-methyl-1-stearoyloxy-ethyl)thio]-2-palmitamido-propionic acid Formula: C44H85NO6S MolecularWeight: 756.2138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C)(COCCCC)SCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)(COCCCC)SC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C44H85NO6S/c1-5-8-11-13-15-17-19-21-22-24-26-28-30-32-34-36-42(47)51-44(4,39-50-37-10-7-3)52-38-40(43(48)49)45-41(46)35-33-31-29-27-25-23-20-18-16-14-12-9-6-2/h40H,5-39H2,1-4H3,(H,45,46)(H,48,49)/t40-,44?/m0/s1