Catalog Number:
AG000O86
Chemical Name:
2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[[(2-aMino-4-broMophenyl)aMino]carbonyl]-, 1,1-diMethylethyl ester, (1R,3S,4S)-
CAS Number:
1256387-73-1
Molecular Formula:
C18H24BrN3O3
Molecular Weight:
410.3055
MDL Number:
MFCD28386935
IUPAC Name:
tert-butyl (1R,3S,4S)-3-[(2-amino-4-bromophenyl)carbamoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylate
InChI:
InChI=1S/C18H24BrN3O3/c1-18(2,3)25-17(24)22-12-6-4-10(8-12)15(22)16(23)21-14-7-5-11(19)9-13(14)20/h5,7,9-10,12,15H,4,6,8,20H2,1-3H3,(H,21,23)/t10-,12+,15-/m0/s1
InChI Key:
XETMMGXIMOZVQV-NVBFEUDRSA-N
SMILES:
O=C([C@@H]1[C@H]2CC[C@@H](N1C(=O)OC(C)(C)C)C2)Nc1ccc(cc1N)Br
