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

Systemtic Name: (2R)-3-(2-dodecanoyloxy-1-hexadecanoyloxy-propan-2-yl)sulfanyl-2-(hexadecanoylamino)propanoic acid Openeye Name: (2R)-3-(1-dodecanoyloxy-2-hexadecanoyloxy-1-methyl-ethyl)sulfanyl-2-(hexadecanoylamino)propanoic acid CAS Name: (2R)-3-[[2-(1-oxododecoxy)-1-(1-oxohexadecoxy)propan-2-yl]thio]-2-(1-oxohexadecylamino)propanoic acid IUPAC Name: (2R)-3-(2-dodecanoyloxy-1-hexadecanoyloxypropan-2-yl)sulfanyl-2-(hexadecanoylamino)propanoic acid Traditional Name: (2R)-3-[(2-hexadecanoyloxy-1-lauroyloxy-1-methyl-ethyl)thio]-2-palmitamido-propionic acid Formula: C50H95NO7S MolecularWeight: 854.3568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H95NO7S/c1-5-8-11-14-17-20-22-24-26-29-31-34-37-40-46(52)51-45(49(55)56)43-59-50(4,58-48(54)42-39-36-33-28-19-16-13-10-7-3)44-57-47(53)41-38-35-32-30-27-25-23-21-18-15-12-9-6-2/h45H,5-44H2,1-4H3,(H,51,52)(H,55,56)/t45-,50?/m0/s1