hexadecyl (2S)-2,6-bis(azanyl)hexanoate; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid

Systemtic Name: hexadecyl (2S)-2,6-bis(azanyl)hexanoate; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid Openeye Name: hexadecyl (2S)-2,6-diaminohexanoate; (2S)-5-oxopyrrolidine-2-carboxylic acid CAS Name: (2S)-2,6-diaminohexanoic acid hexadecyl ester; (2S)-5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: hexadecyl (2S)-2,6-diaminohexanoate; (2S)-5-oxopyrrolidine-2-carboxylic acid Traditional Name: (2S)-2,6-diaminohexanoic acid cetyl ester; (2S)-5-ketoproline Formula: C27H53N3O5 MolecularWeight: 499.72682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CCCCN)N.C1CC(=O)NC1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)[C@H](CCCCN)N.C1CC(=O)N[C@@H]1C(=O)O

InChI

InChI=1S/C22H46N2O2.C5H7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26-22(25)21(24)18-15-16-19-23;7-4-2-1-3(6-4)5(8)9/h21H,2-20,23-24H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)/t21-;3-/m00/s1