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

Systemtic Name: (2S,4S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-[(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-(p-tolylmethyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-[(4-methylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-[(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-(4-methylbenzyl)proline Formula: C19H25NO4S MolecularWeight: 363.4711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO4S/c1-12-4-6-15(7-5-12)8-16-9-17(19(23)24)20(10-16)18(22)13(2)11-25-14(3)21/h4-7,13,16-17H,8-11H2,1-3H3,(H,23,24)/t13?,16-,17-/m0/s1