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

Systemtic Name: (2R)-3-(2-dodecanoyloxy-1-hexadecoxy-propan-2-yl)sulfanyl-2-(hexadecanoylamino)propanoic acid Openeye Name: (2R)-3-(1-dodecanoyloxy-2-hexadecoxy-1-methyl-ethyl)sulfanyl-2-(hexadecanoylamino)propanoic acid CAS Name: (2R)-3-[[1-hexadecoxy-2-(1-oxododecoxy)propan-2-yl]thio]-2-(1-oxohexadecylamino)propanoic acid IUPAC Name: (2R)-3-(2-dodecanoyloxy-1-hexadecoxypropan-2-yl)sulfanyl-2-(hexadecanoylamino)propanoic acid Traditional Name: (2R)-3-[(2-cetyloxy-1-lauroyloxy-1-methyl-ethyl)thio]-2-palmitamido-propionic acid Formula: C50H97NO6S MolecularWeight: 840.37328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H97NO6S/c1-5-8-11-14-17-20-22-24-26-28-31-34-37-40-43-56-45-50(4,57-48(53)42-39-36-33-29-19-16-13-10-7-3)58-44-46(49(54)55)51-47(52)41-38-35-32-30-27-25-23-21-18-15-12-9-6-2/h46H,5-45H2,1-4H3,(H,51,52)(H,54,55)/t46-,50?/m0/s1