(2R,3R,3aS,9bS)-1-[cyclopropyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-7-phenyl-N-(2-pyridin-4-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

Properties Image MNX_ID MNXM170520 reference chebi:99198 formula C29H30N4O4 global charge 0 mol weight 498.583 InChIKey OYSHQHUZVWGKJD-VHCQPULKSA-N InChI InChI=1S/C29H30N4O4/c34-17-23-22-16-32-24(9-8-21(29(32)37)19-4-2-1-3-5-19)25(22)33(28(36)20-6-7-20)26(23)27(35)31-15-12-18-10-13-30-14-11-18/h1-5,8-11,13-14,20,22-23,25-26,34H,6-7,12,15-17H2,(H,31,35)/t22-,23-,25+,26-/m1/s1 SMILES O=C(NCCC1=CC=NC=C1)[C@H]1[C@H](CO)[C@H]2CN3C(=O)C(C4=CC=CC=C4)=CC=C3[C@H]2N1C(=O)C1CC1 MNX internals InChI (mnx) InChI=1/C29H30N4O4/c34-17-23-22-16-32-24(9-8-21(29(32)37)19-4-2-1-3-5-19)25(22)33(28(36)20-6-7-20)26(23)27(35)31-15-12-18-10-13-30-14-11-18/h1-5,8-11,13-14,20,22-23,25-26,34H,6-7,12,15-17H2,(H,31,35)/t22-,23-,25+,26-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:19]([C:21]2=[CH:8][CH:9]=[C:24]3[C@@H:25]4[C@H:22]([CH2:16][N:32]3[C:29]2=[O:37])[C@@H:23]([CH2:17][OH:34])[C@H:26]([C:27](=[N:31][CH2:15][CH2:12][C:18]2=[CH:11][CH:14]=[N:30][CH:13]=[CH:10]2)[OH:35])[N:33]4[C:28]([CH:20]2[CH2:6][CH2:7]2)=[O:36])[CH:5]=[CH:3]1

Parent-child relations graph

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