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

Systemtic Name: (2S,4S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-piperidin-1-yl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-(1-piperidyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-(1-piperidinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-piperidin-1-ylpyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-piperidino-proline Formula: C16H26N2O4S MolecularWeight: 342.45364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC(CC1C(=O)O)N2CCCCC2

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1C[C@H](C[C@H]1C(=O)O)N2CCCCC2

InChI

InChI=1S/C16H26N2O4S/c1-11(10-23-12(2)19)15(20)18-9-13(8-14(18)16(21)22)17-6-4-3-5-7-17/h11,13-14H,3-10H2,1-2H3,(H,21,22)/t11?,13-,14-/m0/s1