(2R)-3-(1-butoxy-2-oxidanyl-propan-2-yl)sulfanyl-2-(hexadecanoylamino)propanoic acid

Systemtic Name: (2R)-3-(1-butoxy-2-oxidanyl-propan-2-yl)sulfanyl-2-(hexadecanoylamino)propanoic acid Openeye Name: (2R)-3-(2-butoxy-1-hydroxy-1-methyl-ethyl)sulfanyl-2-(hexadecanoylamino)propanoic acid CAS Name: (2R)-3-[(1-butoxy-2-hydroxypropan-2-yl)thio]-2-(1-oxohexadecylamino)propanoic acid IUPAC Name: (2R)-3-(1-butoxy-2-hydroxypropan-2-yl)sulfanyl-2-(hexadecanoylamino)propanoic acid Traditional Name: (2R)-3-[(2-butoxy-1-hydroxy-1-methyl-ethyl)thio]-2-palmitamido-propionic acid Formula: C26H51NO5S MolecularWeight: 489.75184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H51NO5S/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-24(28)27-23(25(29)30)21-33-26(3,31)22-32-20-7-5-2/h23,31H,4-22H2,1-3H3,(H,27,28)(H,29,30)/t23-,26?/m0/s1