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

Systemtic Name: (2S)-1-[(2S)-5-oxidanyl-5-oxidanylidene-2-(phenylsulfonylamino)pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-(benzenesulfonamido)-5-hydroxy-5-oxo-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-(benzenesulfonamido)-5-hydroxy-1,5-dioxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-(benzenesulfonamido)-5-hydroxy-5-oxopentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-(benzenesulfonamido)-5-hydroxy-5-keto-pentanoyl]proline Formula: C16H20N2O7S MolecularWeight: 384.4042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O7S/c19-14(20)9-8-12(15(21)18-10-4-7-13(18)16(22)23)17-26(24,25)11-5-2-1-3-6-11/h1-3,5-6,12-13,17H,4,7-10H2,(H,19,20)(H,22,23)/t12-,13-/m0/s1