化学式

CAS号

IUPAC Name

(E)-N-[6-[(7S,8aR)-7-甲基-3,4,6,7,8,8a-六氢-1H-吡咯并[1,2-a]吡嗪-2-基]-2-[(2R)-2-氟-3-羟基-3-甲基丁基]-1-oxoisoindol-2-ium-5-基]-3-氨基-2-嘧啶-2-ylprop-2-丙烯酰胺 (E)-N-[6-[(7S,8aR)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxoisoindol-2-ium-5-yl]-3-amino-2-pyrimidin-2-ylprop-2-enamide

InChI

InChI=1S/C28H34FN7O3/c1-17-9-19-15-35(8-7-34(19)13-17)23-11-20-18(14-36(27(20)38)16-24(29)28(2,3)39)10-22(23)33-26(37)21(12-30)25-31-5-4-6-32-25/h4-6,10-12,14,17,19,24,39H,7-9,13,15-16H2,1-3H3,(H2-,30,31,32,33,37,38)/p+1/t17-,19+,24+/m0/s1

InChI Key

POSZYOMBQDCJSJ-RGZWJVDOSA-O

Canonical SMILES

CC1CC2CN(CCN2C1)C3=C(C=C4C=[N+](C(=O)C4=C3)CC(C(C)(C)O)F)NC(=O)C(=CN)C5=NC=CC=N5

别名