5-oxidanylidenepyrrolidine-2-carboxylate; 2-(phenylmethyl)sulfinylethylazanium

Systemtic Name: 5-oxidanylidenepyrrolidine-2-carboxylate; 2-(phenylmethyl)sulfinylethylazanium Openeye Name: 2-benzylsulfinylethylammonium; 5-oxopyrrolidine-2-carboxylate CAS Name: 5-oxo-2-pyrrolidinecarboxylate; 2-(phenylmethyl)sulfinylethylammonium IUPAC Name: 2-benzylsulfinylethylazanium; 5-oxopyrrolidine-2-carboxylate Traditional Name: 2-benzylsulfinylethylammonium pyroglutamate Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1C(=O)[O-].C1=CC=C(C=C1)CS(=O)CC[NH3+]

Isomeric SMILES

C1CC(=O)NC1C(=O)[O-].C1=CC=C(C=C1)CS(=O)CC[NH3+]

InChI

InChI=1S/C9H13NOS.C5H7NO3/c10-6-7-12(11)8-9-4-2-1-3-5-9;7-4-2-1-3(6-4)5(8)9/h1-5H,6-8,10H2;3H,1-2H2,(H,6,7)(H,8,9)