(2S,4S)-4-[(4-methylphenyl)methoxy]-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-4-[(4-methylphenyl)methoxy]-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-(p-tolylmethoxy)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-(3-mercapto-2-methyl-1-oxopropyl)-4-[(4-methylphenyl)methoxy]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-4-[(4-methylphenyl)methoxy]-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-(3-mercapto-2-methyl-propanoyl)-4-(4-methylbenzyl)oxy-proline Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2CC(N(C2)C(=O)C(C)CS)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CO[C@H]2C[C@H](N(C2)C(=O)C(C)CS)C(=O)O

InChI

InChI=1S/C17H23NO4S/c1-11-3-5-13(6-4-11)9-22-14-7-15(17(20)21)18(8-14)16(19)12(2)10-23/h3-6,12,14-15,23H,7-10H2,1-2H3,(H,20,21)/t12?,14-,15-/m0/s1