tert-butyl (2S)-2-(hexadecanoylamino)-3-[(2R)-2-oxidanyloctadecyl]sulfanyl-propanoate

Systemtic Name: tert-butyl (2S)-2-(hexadecanoylamino)-3-[(2R)-2-oxidanyloctadecyl]sulfanyl-propanoate Openeye Name: tert-butyl (2S)-2-(hexadecanoylamino)-3-[(2R)-2-hydroxyoctadecyl]sulfanyl-propanoate CAS Name: (2S)-3-[[(2R)-2-hydroxyoctadecyl]thio]-2-(1-oxohexadecylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(hexadecanoylamino)-3-[(2R)-2-hydroxyoctadecyl]sulfanylpropanoate Traditional Name: (2S)-3-[[(2R)-2-hydroxyoctadecyl]thio]-2-palmitamido-propionic acid tert-butyl ester Formula: C41H81NO4S MolecularWeight: 684.15114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CSCC(C(=O)OC(C)(C)C)NC(=O)CCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC[C@H](CSC[C@H](C(=O)OC(C)(C)C)NC(=O)CCCCCCCCCCCCCCC)O

InChI

InChI=1S/C41H81NO4S/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-37(43)35-47-36-38(40(45)46-41(3,4)5)42-39(44)34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h37-38,43H,6-36H2,1-5H3,(H,42,44)/t37-,38-/m1/s1