(2S,4S)-4-(3-methylsulfanylphenoxy)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-4-(3-methylsulfanylphenoxy)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-4-(3-methylsulfanylphenoxy)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-(3-mercapto-2-methyl-1-oxopropyl)-4-[3-(methylthio)phenoxy]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-4-(3-methylsulfanylphenoxy)-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-(3-mercapto-2-methyl-propanoyl)-4-[3-(methylthio)phenoxy]proline Formula: C16H21NO4S2 MolecularWeight: 355.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)OC2=CC(=CC=C2)SC

Isomeric SMILES

CC(CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)OC2=CC(=CC=C2)SC

InChI

InChI=1S/C16H21NO4S2/c1-10(9-22)15(18)17-8-12(7-14(17)16(19)20)21-11-4-3-5-13(6-11)23-2/h3-6,10,12,14,22H,7-9H2,1-2H3,(H,19,20)/t10?,12-,14-/m0/s1