tert-butyl (2R)-2-(hexadecanoylamino)-3-(1-methoxy-2-oxidanyl-propan-2-yl)sulfanyl-propanoate

Systemtic Name: tert-butyl (2R)-2-(hexadecanoylamino)-3-(1-methoxy-2-oxidanyl-propan-2-yl)sulfanyl-propanoate Openeye Name: tert-butyl (2R)-2-(hexadecanoylamino)-3-(1-hydroxy-2-methoxy-1-methyl-ethyl)sulfanyl-propanoate CAS Name: (2R)-3-[(2-hydroxy-1-methoxypropan-2-yl)thio]-2-(1-oxohexadecylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-(hexadecanoylamino)-3-(2-hydroxy-1-methoxypropan-2-yl)sulfanylpropanoate Traditional Name: (2R)-3-[(1-hydroxy-2-methoxy-1-methyl-ethyl)thio]-2-palmitamido-propionic acid tert-butyl ester Formula: C27H53NO5S MolecularWeight: 503.77842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H53NO5S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(29)28-23(25(30)33-26(2,3)4)21-34-27(5,31)22-32-6/h23,31H,7-22H2,1-6H3,(H,28,29)/t23-,27?/m0/s1