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

Systemtic Name: tert-butyl (2S,5R)-1-(2-acetamidoprop-2-enoyl)-5-(2-iodanylethyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S,5R)-1-(2-acetamidoprop-2-enoyl)-5-(2-iodoethyl)pyrrolidine-2-carboxylate CAS Name: (2S,5R)-1-(2-acetamido-1-oxoprop-2-enyl)-5-(2-iodoethyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5R)-1-(2-acetamidoprop-2-enoyl)-5-(2-iodoethyl)pyrrolidine-2-carboxylate Traditional Name: (2S,5R)-1-(2-acetamidoacryloyl)-5-(2-iodoethyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C16H25IN2O4 MolecularWeight: 436.28517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25IN2O4/c1-10(18-11(2)20)14(21)19-12(8-9-17)6-7-13(19)15(22)23-16(3,4)5/h12-13H,1,6-9H2,2-5H3,(H,18,20)/t12-,13+/m1/s1