methyl (2S,4S)-4-ethanoylsulfanyl-1-[(2S)-pyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-ethanoylsulfanyl-1-[(2S)-pyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-acetylsulfanyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-(acetylthio)-1-[oxo-[(2S)-2-pyrrolidinyl]methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-acetylsulfanyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-(acetylthio)-1-[(2S)-prolyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)C2CCCN2)C(=O)OC

Isomeric SMILES

CC(=O)S[C@H]1C[C@H](N(C1)C(=O)[C@@H]2CCCN2)C(=O)OC

InChI

InChI=1S/C13H20N2O4S/c1-8(16)20-9-6-11(13(18)19-2)15(7-9)12(17)10-4-3-5-14-10/h9-11,14H,3-7H2,1-2H3/t9-,10-,11-/m0/s1