tert-butyl (2S)-2-[(2S,4S)-4-ethanoylsulfanyl-2-(methylcarbamoyl)pyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(2S,4S)-4-ethanoylsulfanyl-2-(methylcarbamoyl)pyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(2S,4S)-4-acetylsulfanyl-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(2S,4S)-4-(acetylthio)-2-(methylcarbamoyl)-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2S,4S)-4-acetylsulfanyl-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(2S,4S)-4-(acetylthio)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H29N3O5S MolecularWeight: 399.50496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)C2CCCN2C(=O)OC(C)(C)C)C(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O5S/c1-11(22)27-12-9-14(15(23)19-5)21(10-12)16(24)13-7-6-8-20(13)17(25)26-18(2,3)4/h12-14H,6-10H2,1-5H3,(H,19,23)/t12-,13-,14-/m0/s1