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

Properties Image MNX_ID MNXM171689 reference chebi:97561 formula C28H32FN3O3 global charge 0 mol weight 477.58 InChIKey KHFULICTXBCFCV-RLBRRGQKSA-N InChI InChI=1S/C28H32FN3O3/c29-23-8-4-3-7-19(23)14-32-25-21(22(16-33)26(32)27(34)30-13-17-9-10-17)15-31-24(25)12-11-20(28(31)35)18-5-1-2-6-18/h3-5,7-8,11-12,17,21-22,25-26,33H,1-2,6,9-10,13-16H2,(H,30,34)/t21-,22-,25+,26-/m0/s1 SMILES O=C(NCC1CC1)[C@@H]1[C@@H](CO)[C@@H]2CN3C(=O)C(C4=CCCC4)=CC=C3[C@@H]2N1CC1=CC=CC=C1F MNX internals InChI (mnx) InChI=1/C28H32FN3O3/c29-23-8-4-3-7-19(23)14-32-25-21(22(16-33)26(32)27(34)30-13-17-9-10-17)15-31-24(25)12-11-20(28(31)35)18-5-1-2-6-18/h3-5,7-8,11-12,17,21-22,25-26,33H,1-2,6,9-10,13-16H2,(H,30,34)/t21-,22-,25+,26-/m0/s1 SMILES (mnx) [CH2:1]1[CH2:2][CH2:6][C:18]([C:20]2=[CH:11][CH:12]=[C:24]3[C@H:25]4[C@@H:21]([CH2:15][N:31]3[C:28]2=[O:35])[C@H:22]([CH2:16][OH:33])[C@@H:26]([C:27](=[N:30][CH2:13][CH:17]2[CH2:9][CH2:10]2)[OH:34])[N:32]4[CH2:14][C:19]2=[CH:7][CH:3]=[CH:4][CH:8]=[C:23]2[F:29])=[CH:5]1

Parent-child relations graph

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