ethyl (2S)-6-azanyl-2-(dodecanoylamino)hexanoate; 5-oxidanylidenepyrrolidine-2-carboxylic acid

Systemtic Name: ethyl (2S)-6-azanyl-2-(dodecanoylamino)hexanoate; 5-oxidanylidenepyrrolidine-2-carboxylic acid Openeye Name: ethyl (2S)-6-amino-2-(dodecanoylamino)hexanoate; 5-oxopyrrolidine-2-carboxylic acid CAS Name: (2S)-6-amino-2-(1-oxododecylamino)hexanoic acid ethyl ester; 5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: ethyl (2S)-6-amino-2-(dodecanoylamino)hexanoate; 5-oxopyrrolidine-2-carboxylic acid Traditional Name: (2S)-6-amino-2-(lauroylamino)hexanoic acid ethyl ester; pyroglutamic acid Formula: C25H47N3O6 MolecularWeight: 485.65718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CCCCN)C(=O)OCC.C1CC(=O)NC1C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)OCC.C1CC(=O)NC1C(=O)O

InChI

InChI=1S/C20H40N2O3.C5H7NO3/c1-3-5-6-7-8-9-10-11-12-16-19(23)22-18(15-13-14-17-21)20(24)25-4-2;7-4-2-1-3(6-4)5(8)9/h18H,3-17,21H2,1-2H3,(H,22,23);3H,1-2H2,(H,6,7)(H,8,9)/t18-;/m0./s1