[(E,2R,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-octadec-4-enyl] 2,2-dimethylpropanoate

Systemtic Name: [(E,2R,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-octadec-4-enyl] 2,2-dimethylpropanoate Openeye Name: [(E,2R,3S)-2-(tert-butoxycarbonylamino)-3-hydroxy-octadec-4-enyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(E,2R,3S)-3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]octadec-4-enyl] ester IUPAC Name: [(E,2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]octadec-4-enyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(E,2R,3S)-2-(tert-butoxycarbonylamino)-3-hydroxy-octadec-4-enyl] ester Formula: C28H53NO5 MolecularWeight: 483.72412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC(=O)C(C)(C)C)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@@H]([C@@H](COC(=O)C(C)(C)C)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C28H53NO5/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(30)23(22-33-25(31)27(2,3)4)29-26(32)34-28(5,6)7/h20-21,23-24,30H,8-19,22H2,1-7H3,(H,29,32)/b21-20+/t23-,24+/m1/s1