6-azanyl-2-(phenylmethoxycarbonylamino)hexanoic acid; 5-oxidanylidenepyrrolidine-2-carboxylic acid

Systemtic Name: 6-azanyl-2-(phenylmethoxycarbonylamino)hexanoic acid; 5-oxidanylidenepyrrolidine-2-carboxylic acid Openeye Name: 6-amino-2-(benzyloxycarbonylamino)hexanoic acid; 5-oxopyrrolidine-2-carboxylic acid CAS Name: 6-amino-2-(phenylmethoxycarbonylamino)hexanoic acid; 5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: 6-amino-2-(phenylmethoxycarbonylamino)hexanoic acid; 5-oxopyrrolidine-2-carboxylic acid Traditional Name: 6-amino-2-(benzyloxycarbonylamino)hexanoic acid; pyroglutamic acid Formula: C19H27N3O7 MolecularWeight: 409.43358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1C(=O)O.C1=CC=C(C=C1)COC(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

C1CC(=O)NC1C(=O)O.C1=CC=C(C=C1)COC(=O)NC(CCCCN)C(=O)O

InChI

InChI=1S/C14H20N2O4.C5H7NO3/c15-9-5-4-8-12(13(17)18)16-14(19)20-10-11-6-2-1-3-7-11;7-4-2-1-3(6-4)5(8)9/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18);3H,1-2H2,(H,6,7)(H,8,9)