(2S,3S,3aR,9bR)-N-ethyl-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-[1-oxo-2-(3-pyridinyl)ethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

Properties Image MNX_ID MNXM171716 reference chebi:99719 formula C27H27FN4O4 global charge 0 mol weight 490.535 InChIKey KPWZAVBDHNROKR-MHOPESGUSA-N InChI InChI=1S/C27H27FN4O4/c1-2-30-26(35)25-21(15-33)20-14-31-22(10-9-19(27(31)36)17-5-7-18(28)8-6-17)24(20)32(25)23(34)12-16-4-3-11-29-13-16/h3-11,13,20-21,24-25,33H,2,12,14-15H2,1H3,(H,30,35)/t20-,21-,24+,25-/m0/s1 SMILES CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2CN3C(=O)C(C4=CC=C(F)C=C4)=CC=C3[C@@H]2N1C(=O)CC1=CN=CC=C1 MNX internals InChI (mnx) InChI=1/C27H27FN4O4/c1-2-30-26(35)25-21(15-33)20-14-31-22(10-9-19(27(31)36)17-5-7-18(28)8-6-17)24(20)32(25)23(34)12-16-4-3-11-29-13-16/h3-11,13,20-21,24-25,33H,2,12,14-15H2,1H3,(H,30,35)/t20-,21-,24+,25-/m0/s1 SMILES (mnx) [CH3:1][CH2:2][N:30]=[C:26]([C@@H:25]1[C@@H:21]([CH2:15][OH:33])[C@@H:20]2[CH2:14][N:31]3[C:22](=[CH:10][CH:9]=[C:19]([C:17]4=[CH:6][CH:8]=[C:18]([F:28])[CH:7]=[CH:5]4)[C:27]3=[O:36])[C@@H:24]2[N:32]1[C:23]([CH2:12][C:16]1=[CH:13][N:29]=[CH:11][CH:3]=[CH:4]1)=[O:34])[OH:35]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0