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

Systemtic Name: (2S,4S)-4-[(2-methoxyphenyl)methyl]-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-4-[(2-methoxyphenyl)methyl]-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-(3-mercapto-2-methyl-1-oxopropyl)-4-[(2-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-4-[(2-methoxyphenyl)methyl]-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-(3-mercapto-2-methyl-propanoyl)-4-o-anisyl-proline Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)CC2=CC=CC=C2OC

Isomeric SMILES

CC(CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)CC2=CC=CC=C2OC

InChI

InChI=1S/C17H23NO4S/c1-11(10-23)16(19)18-9-12(8-14(18)17(20)21)7-13-5-3-4-6-15(13)22-2/h3-6,11-12,14,23H,7-10H2,1-2H3,(H,20,21)/t11?,12-,14-/m0/s1