(2S)-1-[3-ethanoylsulfanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[3-ethanoylsulfanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[3-acetylsulfanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[3-(acetylthio)-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[3-acetylsulfanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[3-(acetylthio)-3-(1H-imidazol-5-yl)propanoyl]proline Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C2=CN=CN2

Isomeric SMILES

CC(=O)SC(CC(=O)N1CCC[C@H]1C(=O)O)C2=CN=CN2

InChI

InChI=1S/C13H17N3O4S/c1-8(17)21-11(9-6-14-7-15-9)5-12(18)16-4-2-3-10(16)13(19)20/h6-7,10-11H,2-5H2,1H3,(H,14,15)(H,19,20)/t10-,11?/m0/s1