Catalog Number:
AG009CK2
Chemical Name:
Ro8994
CAS Number:
1309684-94-3
Molecular Formula:
C31H31Cl2FN4O4
Molecular Weight:
613.5066
MDL Number:
MFCD29472243
IUPAC Name:
(2'R,3R,3'S,5'S)-N-(4-carbamoyl-2-methoxyphenyl)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
InChI:
InChI=1S/C31H31Cl2FN4O4/c1-30(2,3)14-23-31(18-10-9-16(32)13-21(18)37-29(31)41)24(17-6-5-7-19(33)25(17)34)26(38-23)28(40)36-20-11-8-15(27(35)39)12-22(20)42-4/h5-13,23-24,26,38H,14H2,1-4H3,(H2,35,39)(H,36,40)(H,37,41)/t23-,24-,26+,31+/m0/s1
InChI Key:
MURAVORBGFDSMA-ISKXDESKSA-N
SMILES:
COc1cc(ccc1NC(=O)[C@@H]1N[C@H]([C@]2([C@H]1c1cccc(c1F)Cl)C(=O)Nc1c2ccc(c1)Cl)CC(C)(C)C)C(=O)N
