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

Systemtic Name: (2R)-2-(hexadecanoylamino)-3-(1-hexadecanoyloxy-2-oxidanyl-propan-2-yl)sulfanyl-propanoic acid Openeye Name: (2R)-2-(hexadecanoylamino)-3-(2-hexadecanoyloxy-1-hydroxy-1-methyl-ethyl)sulfanyl-propanoic acid CAS Name: (2R)-3-[[2-hydroxy-1-(1-oxohexadecoxy)propan-2-yl]thio]-2-(1-oxohexadecylamino)propanoic acid IUPAC Name: (2R)-2-(hexadecanoylamino)-3-(1-hexadecanoyloxy-2-hydroxypropan-2-yl)sulfanylpropanoic acid Traditional Name: (2R)-3-[(2-hexadecanoyloxy-1-hydroxy-1-methyl-ethyl)thio]-2-palmitamido-propionic acid Formula: C38H73NO6S MolecularWeight: 672.05432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H73NO6S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35(40)39-34(37(42)43)32-46-38(3,44)33-45-36(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34,44H,4-33H2,1-3H3,(H,39,40)(H,42,43)/t34-,38?/m0/s1