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

Systemtic Name: (2S,4R)-4-(2-methoxyphenyl)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-(2-methoxyphenyl)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-(3-mercapto-2-methyl-1-oxopropyl)-4-(2-methoxyphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-(2-methoxyphenyl)-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-(3-mercapto-2-methyl-propanoyl)-4-(2-methoxyphenyl)proline Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)C2=CC=CC=C2OC

Isomeric SMILES

CC(CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)C2=CC=CC=C2OC

InChI

InChI=1S/C16H21NO4S/c1-10(9-22)15(18)17-8-11(7-13(17)16(19)20)12-5-3-4-6-14(12)21-2/h3-6,10-11,13,22H,7-9H2,1-2H3,(H,19,20)/t10?,11-,13-/m0/s1