O1-[(3R)-1-(benzotriazol-1-yloxy)-1-oxidanylidene-hexadecan-3-yl] O5-tert-butyl (2S)-2-(phenylmethoxycarbonylamino)pentanedioate

Systemtic Name: O1-[(3R)-1-(benzotriazol-1-yloxy)-1-oxidanylidene-hexadecan-3-yl] O5-tert-butyl (2S)-2-(phenylmethoxycarbonylamino)pentanedioate Openeye Name: O1-[(1R)-1-[2-(benzotriazol-1-yloxy)-2-oxo-ethyl]tetradecyl] O5-tert-butyl (2S)-2-(benzyloxycarbonylamino)pentanedioate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)pentanedioic acid O1-[(3R)-1-(1-benzotriazolyloxy)-1-oxohexadecan-3-yl] ester O5-tert-butyl ester IUPAC Name: 1-O-[(3R)-1-(benzotriazol-1-yloxy)-1-oxohexadecan-3-yl] 5-O-tert-butyl (2S)-2-(phenylmethoxycarbonylamino)pentanedioate Traditional Name: (2S)-2-(benzyloxycarbonylamino)glutaric acid O1-[(1R)-1-[2-(benzotriazol-1-yloxy)-2-keto-ethyl]tetradecyl] ester O5-tert-butyl ester Formula: C39H56N4O8 MolecularWeight: 708.88394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)ON1C2=CC=CC=C2N=N1)OC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC[C@H](CC(=O)ON1C2=CC=CC=C2N=N1)OC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C39H56N4O8/c1-5-6-7-8-9-10-11-12-13-14-18-23-31(28-36(45)51-43-34-25-20-19-24-32(34)41-42-43)49-37(46)33(26-27-35(44)50-39(2,3)4)40-38(47)48-29-30-21-16-15-17-22-30/h15-17,19-22,24-25,31,33H,5-14,18,23,26-29H2,1-4H3,(H,40,47)/t31-,33+/m1/s1