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

Systemtic Name: tert-butyl (2R)-3-(1-butoxy-2-oxidanyl-propan-2-yl)sulfanyl-2-(hexadecanoylamino)propanoate Openeye Name: tert-butyl (2R)-3-(2-butoxy-1-hydroxy-1-methyl-ethyl)sulfanyl-2-(hexadecanoylamino)propanoate CAS Name: (2R)-3-[(1-butoxy-2-hydroxypropan-2-yl)thio]-2-(1-oxohexadecylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-3-(1-butoxy-2-hydroxypropan-2-yl)sulfanyl-2-(hexadecanoylamino)propanoate Traditional Name: (2R)-3-[(2-butoxy-1-hydroxy-1-methyl-ethyl)thio]-2-palmitamido-propionic acid tert-butyl ester Formula: C30H59NO5S MolecularWeight: 545.85816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H59NO5S/c1-7-9-11-12-13-14-15-16-17-18-19-20-21-22-27(32)31-26(28(33)36-29(3,4)5)24-37-30(6,34)25-35-23-10-8-2/h26,34H,7-25H2,1-6H3,(H,31,32)/t26-,30?/m0/s1