(2S)-1-[(4S)-4-benzamido-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(4S)-4-benzamido-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(4S)-4-benzamido-5-hydroxy-5-oxo-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(4S)-4-benzamido-5-hydroxy-1,5-dioxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(4S)-4-benzamido-5-hydroxy-5-oxopentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(4S)-4-benzamido-5-hydroxy-5-keto-pentanoyl]proline Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC(C(=O)O)NC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CC[C@@H](C(=O)O)NC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H20N2O6/c20-14(19-10-4-7-13(19)17(24)25)9-8-12(16(22)23)18-15(21)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,18,21)(H,22,23)(H,24,25)/t12-,13-/m0/s1