1-(3-methyl-2-sulfanyl-butanoyl)-3-(phenylmethyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-methyl-2-sulfanyl-butanoyl)-3-(phenylmethyl)pyrrolidine-2-carboxylic acid Openeye Name: 3-benzyl-1-(3-methyl-2-sulfanyl-butanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(2-mercapto-3-methyl-1-oxobutyl)-3-(phenylmethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 3-benzyl-1-(3-methyl-2-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-benzyl-1-(2-mercapto-3-methyl-butanoyl)proline Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(C1C(=O)O)CC2=CC=CC=C2)S

Isomeric SMILES

CC(C)C(C(=O)N1CCC(C1C(=O)O)CC2=CC=CC=C2)S

InChI

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