1-(2-methyl-3-sulfanyl-propanoyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-methyl-3-sulfanyl-propanoyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-methyl-3-sulfanyl-propanoyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(3-mercapto-2-methyl-1-oxopropyl)-4-(1-phenylethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-methyl-3-sulfanylpropanoyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(3-mercapto-2-methyl-propanoyl)-4-(1-phenylethyl)proline Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)C(C)C2=CC=CC=C2

Isomeric SMILES

CC(CS)C(=O)N1CC(CC1C(=O)O)C(C)C2=CC=CC=C2

InChI

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