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

Properties Image MNX_ID MNXM171658 reference chebi:128580 formula C28H34FN3O3 global charge 0 mol weight 479.596 InChIKey MVKXBUFIGWZLPT-RLBRRGQKSA-N InChI InChI=1S/C28H34FN3O3/c1-2-14-30-27(34)26-22(17-33)21-16-31-24(13-12-20(28(31)35)18-8-4-3-5-9-18)25(21)32(26)15-19-10-6-7-11-23(19)29/h6-8,10-13,21-22,25-26,33H,2-5,9,14-17H2,1H3,(H,30,34)/t21-,22-,25+,26-/m0/s1 SMILES CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2CN3C(=O)C(C4=CCCCC4)=CC=C3[C@@H]2N1CC1=CC=CC=C1F MNX internals InChI (mnx) InChI=1/C28H34FN3O3/c1-2-14-30-27(34)26-22(17-33)21-16-31-24(13-12-20(28(31)35)18-8-4-3-5-9-18)25(21)32(26)15-19-10-6-7-11-23(19)29/h6-8,10-13,21-22,25-26,33H,2-5,9,14-17H2,1H3,(H,30,34)/t21-,22-,25+,26-/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:14][N:30]=[C:27]([C@@H:26]1[C@@H:22]([CH2:17][OH:33])[C@@H:21]2[CH2:16][N:31]3[C:24](=[CH:13][CH:12]=[C:20]([C:18]4=[CH:8][CH2:4][CH2:3][CH2:5][CH2:9]4)[C:28]3=[O:35])[C@@H:25]2[N:32]1[CH2:15][C:19]1=[CH:10][CH:6]=[CH:7][CH:11]=[C:23]1[F:29])[OH:34]

Parent-child relations graph

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