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

Systemtic Name: tert-butyl (2R)-2-(hexadecanoylamino)-3-(1-hexadecoxy-2-oxidanyl-propan-2-yl)sulfanyl-propanoate Openeye Name: tert-butyl (2R)-2-(hexadecanoylamino)-3-(2-hexadecoxy-1-hydroxy-1-methyl-ethyl)sulfanyl-propanoate CAS Name: (2R)-3-[(1-hexadecoxy-2-hydroxypropan-2-yl)thio]-2-(1-oxohexadecylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-(hexadecanoylamino)-3-(1-hexadecoxy-2-hydroxypropan-2-yl)sulfanylpropanoate Traditional Name: (2R)-3-[(2-cetyloxy-1-hydroxy-1-methyl-ethyl)thio]-2-palmitamido-propionic acid tert-butyl ester Formula: C42H83NO5S MolecularWeight: 714.17712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H83NO5S/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-47-37-42(6,46)49-36-38(40(45)48-41(3,4)5)43-39(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h38,46H,7-37H2,1-6H3,(H,43,44)/t38-,42?/m0/s1