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

Systemtic Name: (2S,4S)-4-[(4-methylphenyl)methyl]-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-(p-tolylmethyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-(3-mercapto-2-methyl-1-oxopropyl)-4-[(4-methylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-4-[(4-methylphenyl)methyl]-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-(3-mercapto-2-methyl-propanoyl)-4-(4-methylbenzyl)proline Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2CC(N(C2)C(=O)C(C)CS)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3S/c1-11-3-5-13(6-4-11)7-14-8-15(17(20)21)18(9-14)16(19)12(2)10-22/h3-6,12,14-15,22H,7-10H2,1-2H3,(H,20,21)/t12?,14-,15-/m0/s1