tert-butyl (2R,5S)-2-[(4-azanyl-2-bromanyl-phenoxy)methyl]-5-[(2S)-2-cyanopyrrolidin-1-yl]carbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R,5S)-2-[(4-azanyl-2-bromanyl-phenoxy)methyl]-5-[(2S)-2-cyanopyrrolidin-1-yl]carbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R,5S)-2-[(4-amino-2-bromo-phenoxy)methyl]-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: (2R,5S)-2-[(4-amino-2-bromophenoxy)methyl]-5-[[(2S)-2-cyano-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,5S)-2-[(4-amino-2-bromophenoxy)methyl]-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: (2R,5S)-2-[(4-amino-2-bromo-phenoxy)methyl]-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H29BrN4O4 MolecularWeight: 493.39406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CCC1C(=O)N2CCCC2C#N)COC3=C(C=C(C=C3)N)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H](CC[C@H]1C(=O)N2CCC[C@H]2C#N)COC3=C(C=C(C=C3)N)Br

InChI

InChI=1S/C22H29BrN4O4/c1-22(2,3)31-21(29)27-16(13-30-19-9-6-14(25)11-17(19)23)7-8-18(27)20(28)26-10-4-5-15(26)12-24/h6,9,11,15-16,18H,4-5,7-8,10,13,25H2,1-3H3/t15-,16+,18-/m0/s1