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

Systemtic Name: (2S,4R)-1-(2-methyl-3-sulfanyl-propanoyl)-4-(4-phenoxyphenyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-(2-methyl-3-sulfanyl-propanoyl)-4-(4-phenoxyphenyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-(3-mercapto-2-methyl-1-oxopropyl)-4-(4-phenoxyphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-1-(2-methyl-3-sulfanylpropanoyl)-4-(4-phenoxyphenyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-(3-mercapto-2-methyl-propanoyl)-4-(4-phenoxyphenyl)proline Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H23NO4S/c1-14(13-27)20(23)22-12-16(11-19(22)21(24)25)15-7-9-18(10-8-15)26-17-5-3-2-4-6-17/h2-10,14,16,19,27H,11-13H2,1H3,(H,24,25)/t14?,16-,19-/m0/s1