tert-butyl 2-[(3-oxidanyl-2-tetradecyl-octadecanoyl)amino]-3-sulfanyl-propanoate

Systemtic Name: tert-butyl 2-[(3-oxidanyl-2-tetradecyl-octadecanoyl)amino]-3-sulfanyl-propanoate Openeye Name: tert-butyl 2-[(3-hydroxy-2-tetradecyl-octadecanoyl)amino]-3-sulfanyl-propanoate CAS Name: 2-[(3-hydroxy-1-oxo-2-tetradecyloctadecyl)amino]-3-mercaptopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-hydroxy-2-tetradecyloctadecanoyl)amino]-3-sulfanylpropanoate Traditional Name: 2-[(3-hydroxy-2-myristyl-octadecanoyl)amino]-3-mercapto-propionic acid tert-butyl ester Formula: C39H77NO4S MolecularWeight: 656.09798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC)C(=O)NC(CS)C(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC)C(=O)NC(CS)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C39H77NO4S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36(41)34(37(42)40-35(33-45)38(43)44-39(3,4)5)31-29-27-25-23-21-19-17-15-13-11-9-7-2/h34-36,41,45H,6-33H2,1-5H3,(H,40,42)