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

Systemtic Name: tert-butyl (2S)-2-[(2S,4S)-4-ethanoylsulfanyl-2-methoxycarbonyl-pyrrolidin-1-yl]carbonyl-2-methyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(2S,4S)-4-acetylsulfanyl-2-methoxycarbonyl-pyrrolidine-1-carbonyl]-2-methyl-pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(2S,4S)-4-(acetylthio)-2-methoxycarbonyl-1-pyrrolidinyl]-oxomethyl]-2-methyl-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2S,4S)-4-acetylsulfanyl-2-methoxycarbonylpyrrolidine-1-carbonyl]-2-methylpyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(2S,4S)-4-(acetylthio)-2-carbomethoxy-pyrrolidine-1-carbonyl]-2-methyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C19H30N2O6S MolecularWeight: 414.5163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)C2(CCCN2C(=O)OC(C)(C)C)C)C(=O)OC

Isomeric SMILES

CC(=O)S[C@H]1C[C@H](N(C1)C(=O)[C@@]2(CCCN2C(=O)OC(C)(C)C)C)C(=O)OC

InChI

InChI=1S/C19H30N2O6S/c1-12(22)28-13-10-14(15(23)26-6)20(11-13)16(24)19(5)8-7-9-21(19)17(25)27-18(2,3)4/h13-14H,7-11H2,1-6H3/t13-,14-,19-/m0/s1