(2S)-1-[(2S,3S)-3-methyl-2-(phenylsulfonylamino)pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S,3S)-3-methyl-2-(phenylsulfonylamino)pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S,3S)-2-(benzenesulfonamido)-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S,3S)-2-(benzenesulfonamido)-3-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S,3S)-2-(benzenesulfonamido)-3-methylpentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S,3S)-2-(benzenesulfonamido)-3-methyl-pentanoyl]proline Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H24N2O5S/c1-3-12(2)15(16(20)19-11-7-10-14(19)17(21)22)18-25(23,24)13-8-5-4-6-9-13/h4-6,8-9,12,14-15,18H,3,7,10-11H2,1-2H3,(H,21,22)/t12-,14-,15-/m0/s1