O5-[2,5-bis(oxidanylidene)pyrrolidin-1-yl] O1-(phenylmethyl) 2-(hexadecanoylamino)pentanedioate

Systemtic Name: O5-[2,5-bis(oxidanylidene)pyrrolidin-1-yl] O1-(phenylmethyl) 2-(hexadecanoylamino)pentanedioate Openeye Name: O1-benzyl O5-(2,5-dioxopyrrolidin-1-yl) 2-(hexadecanoylamino)pentanedioate CAS Name: 2-(1-oxohexadecylamino)pentanedioic acid O5-(2,5-dioxo-1-pyrrolidinyl) ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 5-O-(2,5-dioxopyrrolidin-1-yl) 2-(hexadecanoylamino)pentanedioate Traditional Name: 2-palmitamidoglutaric acid O1-benzyl ester O5-succinimido ester Formula: C32H48N2O7 MolecularWeight: 582.69543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)ON1C(=O)CCC1=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[14CH]([14CH2][14CH2][14C](=O)ON1C(=O)CCC1=O)[14C](=O)OCC2=CC=CC=C2

InChI

InChI=1S/C32H48N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28(35)33-27(32(39)40-25-26-18-15-14-16-19-26)21-24-31(38)41-34-29(36)22-23-30(34)37/h14-16,18-19,27H,2-13,17,20-25H2,1H3,(H,33,35)/i21+2,24+2,27+2,31+2,32+2