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

Systemtic Name: (2S,4R)-4-(2-hydroxyphenyl)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-(2-hydroxyphenyl)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-4-(2-hydroxyphenyl)-1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-(2-hydroxyphenyl)-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-4-(2-hydroxyphenyl)-1-(3-mercapto-2-methyl-propanoyl)proline Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)C2=CC=CC=C2O

Isomeric SMILES

CC(CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)C2=CC=CC=C2O

InChI

InChI=1S/C15H19NO4S/c1-9(8-21)14(18)16-7-10(6-12(16)15(19)20)11-4-2-3-5-13(11)17/h2-5,9-10,12,17,21H,6-8H2,1H3,(H,19,20)/t9?,10-,12-/m0/s1