(2S)-2-azanyl-3-(1H-indol-3-yl)propanoic acid; 5-oxidanylidenepyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-2-azanyl-3-(1H-indol-3-yl)propanoic acid; 5-oxidanylidenepyrrolidine-2-carboxylic acid Openeye Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; 5-oxopyrrolidine-2-carboxylic acid CAS Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; 5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; 5-oxopyrrolidine-2-carboxylic acid Traditional Name: (2S)-2-amino-3-(1H-indol-3-yl)propionic acid; pyroglutamic acid Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1C(=O)O.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

Isomeric SMILES

C1CC(=O)NC1C(=O)O.C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N

InChI

InChI=1S/C11H12N2O2.C5H7NO3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;7-4-2-1-3(6-4)5(8)9/h1-4,6,9,13H,5,12H2,(H,14,15);3H,1-2H2,(H,6,7)(H,8,9)/t9-;/m0./s1