(2S,4S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-(ethylcarbamoyloxy)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-(ethylcarbamoyloxy)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-(ethylcarbamoyloxy)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-(ethylcarbamoyloxy)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-(ethylcarbamoyloxy)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-(ethylcarbamoyloxy)proline Formula: C14H22N2O6S MolecularWeight: 346.39928

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)OC1CC(N(C1)C(=O)C(C)CSC(=O)C)C(=O)O

Isomeric SMILES

CCNC(=O)O[C@H]1C[C@H](N(C1)C(=O)C(C)CSC(=O)C)C(=O)O

InChI

InChI=1S/C14H22N2O6S/c1-4-15-14(21)22-10-5-11(13(19)20)16(6-10)12(18)8(2)7-23-9(3)17/h8,10-11H,4-7H2,1-3H3,(H,15,21)(H,19,20)/t8?,10-,11-/m0/s1