2-(2-azanylpropanoyl)-3,3-bis(4-chlorophenyl)-1-methylsulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(2-azanylpropanoyl)-3,3-bis(4-chlorophenyl)-1-methylsulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-3,3-bis(4-chlorophenyl)-1-methylsulfonyl-pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-3,3-bis(4-chlorophenyl)-1-methylsulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-3,3-bis(4-chlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-3,3-bis(4-chlorophenyl)-1-mesyl-proline Formula: C21H22Cl2N2O5S MolecularWeight: 485.38078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1(C(CCN1S(=O)(=O)C)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)O)N

Isomeric SMILES

CC(C(=O)C1(C(CCN1S(=O)(=O)C)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)O)N

InChI

InChI=1S/C21H22Cl2N2O5S/c1-13(24)18(26)21(19(27)28)20(11-12-25(21)31(2,29)30,14-3-7-16(22)8-4-14)15-5-9-17(23)10-6-15/h3-10,13H,11-12,24H2,1-2H3,(H,27,28)