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

Systemtic Name: (2S,4S)-4-(cyclohexylmethyl)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-(cyclohexylmethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-(cyclohexylmethyl)proline Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC(CC1C(=O)O)CC2CCCCC2

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1C[C@H](C[C@H]1C(=O)O)CC2CCCCC2

InChI

InChI=1S/C18H29NO4S/c1-12(11-24-13(2)20)17(21)19-10-15(9-16(19)18(22)23)8-14-6-4-3-5-7-14/h12,14-16H,3-11H2,1-2H3,(H,22,23)/t12?,15-,16-/m0/s1