Catalog Number:
AG000FIA
Chemical Name:
XL888
CAS Number:
1149705-71-4
Molecular Formula:
C29H37N5O3
Molecular Weight:
503.6358
MDL Number:
MFCD22124888
IUPAC Name:
2-[[(2R)-butan-2-yl]amino]-4-N-[8-[5-(cyclopropanecarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]octan-3-yl]-5-methylbenzene-1,4-dicarboxamide
InChI:
InChI=1S/C29H37N5O3/c1-4-17(3)32-25-14-23(16(2)11-24(25)28(30)36)29(37)33-20-12-21-8-9-22(13-20)34(21)26-10-7-19(15-31-26)27(35)18-5-6-18/h7,10-11,14-15,17-18,20-22,32H,4-6,8-9,12-13H2,1-3H3,(H2,30,36)(H,33,37)/t17-,20?,21?,22?/m1/s1
InChI Key:
LHGWWAFKVCIILM-LAQKFSSHSA-N
SMILES:
CC[C@H](Nc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3c2ccc(cn2)C(=O)C2CC2)c(cc1C(=O)N)C)C
