octadecyl 3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoate

Systemtic Name: octadecyl 3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoate Openeye Name: octadecyl 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoate CAS Name: 3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]propanoic acid octadecyl ester IUPAC Name: octadecyl 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate Traditional Name: 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propionic acid stearyl ester Formula: C27H53NO5 MolecularWeight: 471.71342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCNC(=O)C(C(C)(C)CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCNC(=O)C(C(C)(C)CO)O

InChI

InChI=1S/C27H53NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-33-24(30)20-21-28-26(32)25(31)27(2,3)23-29/h25,29,31H,4-23H2,1-3H3,(H,28,32)