methyl (2R)-1-[(2R,3R)-3-[(4-bromophenyl)amino]-2-oxidanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R)-1-[(2R,3R)-3-[(4-bromophenyl)amino]-2-oxidanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2R)-1-[(2R,3R)-3-(4-bromoanilino)-2-hydroxy-3-phenyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[(2R,3R)-3-(4-bromoanilino)-2-hydroxy-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[(2R,3R)-3-(4-bromoanilino)-2-hydroxy-3-phenylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[(2R,3R)-3-(4-bromoanilino)-2-hydroxy-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C(C(C2=CC=CC=C2)NC3=CC=C(C=C3)Br)O

Isomeric SMILES

COC(=O)[C@H]1CCCN1C(=O)[C@@H]([C@@H](C2=CC=CC=C2)NC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C21H23BrN2O4/c1-28-21(27)17-8-5-13-24(17)20(26)19(25)18(14-6-3-2-4-7-14)23-16-11-9-15(22)10-12-16/h2-4,6-7,9-12,17-19,23,25H,5,8,13H2,1H3/t17-,18-,19-/m1/s1