(2S,3S,4R)-2-azanyloctadecane-1,3,4-triol; 5-oxidanylidenepyrrolidine-2-carboxylic acid

Systemtic Name: (2S,3S,4R)-2-azanyloctadecane-1,3,4-triol; 5-oxidanylidenepyrrolidine-2-carboxylic acid Openeye Name: (2S,3S,4R)-2-aminooctadecane-1,3,4-triol; 5-oxopyrrolidine-2-carboxylic acid CAS Name: (2S,3S,4R)-2-aminooctadecane-1,3,4-triol; 5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,3S,4R)-2-aminooctadecane-1,3,4-triol; 5-oxopyrrolidine-2-carboxylic acid Traditional Name: (2S,3S,4R)-2-aminooctadecane-1,3,4-triol; pyroglutamic acid Formula: C23H46N2O6 MolecularWeight: 446.62114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C(CO)N)O)O.C1CC(=O)NC1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N)O)O.C1CC(=O)NC1C(=O)O

InChI

InChI=1S/C18H39NO3.C5H7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20;7-4-2-1-3(6-4)5(8)9/h16-18,20-22H,2-15,19H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)/t16-,17+,18-;/m0./s1