tert-butyl (2S,5R)-1-(2-acetamidoprop-2-enoyl)-5-(3-bromanylpropyl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S,5R)-1-(2-acetamidoprop-2-enoyl)-5-(3-bromanylpropyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S,5R)-1-(2-acetamidoprop-2-enoyl)-5-(3-bromopropyl)pyrrolidine-2-carboxylate CAS Name: (2S,5R)-1-(2-acetamido-1-oxoprop-2-enyl)-5-(3-bromopropyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5R)-1-(2-acetamidoprop-2-enoyl)-5-(3-bromopropyl)pyrrolidine-2-carboxylate Traditional Name: (2S,5R)-1-(2-acetamidoacryloyl)-5-(3-bromopropyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C17H27BrN2O4 MolecularWeight: 403.31128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=C)C(=O)N1C(CCC1C(=O)OC(C)(C)C)CCCBr

Isomeric SMILES

CC(=O)NC(=C)C(=O)N1[C@H](CC[C@H]1C(=O)OC(C)(C)C)CCCBr

InChI

InChI=1S/C17H27BrN2O4/c1-11(19-12(2)21)15(22)20-13(7-6-10-18)8-9-14(20)16(23)24-17(3,4)5/h13-14H,1,6-10H2,2-5H3,(H,19,21)/t13-,14-/m0/s1