tert-butyl (2S,5R)-5-(2-bromoethyl)-1-[3-methoxy-3-oxidanylidene-2-(phenylmethyl)propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S,5R)-5-(2-bromoethyl)-1-[3-methoxy-3-oxidanylidene-2-(phenylmethyl)propanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S,5R)-1-(2-benzyl-3-methoxy-3-oxo-propanoyl)-5-(2-bromoethyl)pyrrolidine-2-carboxylate CAS Name: (2S,5R)-5-(2-bromoethyl)-1-[3-methoxy-1,3-dioxo-2-(phenylmethyl)propyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5R)-1-(2-benzyl-3-methoxy-3-oxopropanoyl)-5-(2-bromoethyl)pyrrolidine-2-carboxylate Traditional Name: (2S,5R)-1-(2-benzyl-3-keto-3-methoxy-propanoyl)-5-(2-bromoethyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C22H30BrNO5 MolecularWeight: 468.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC(N1C(=O)C(CC2=CC=CC=C2)C(=O)OC)CCBr

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CC[C@@H](N1C(=O)C(CC2=CC=CC=C2)C(=O)OC)CCBr

InChI

InChI=1S/C22H30BrNO5/c1-22(2,3)29-21(27)18-11-10-16(12-13-23)24(18)19(25)17(20(26)28-4)14-15-8-6-5-7-9-15/h5-9,16-18H,10-14H2,1-4H3/t16-,17?,18+/m1/s1