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

PropertiesImage
MNX_IDMNXM171655 Image of MNXM171655
referencechebi:100523
formulaC23H26F3N3O3
global charge0
mol weight449.473
InChIKeyLSVFVIWAXGKISN-XEYPJELSSA-N
InChIInChI=1S/C23H26F3N3O3/c1-27(2)22(32)20-17(13-30)16-12-29-18(19(16)28(20)11-10-23(24,25)26)9-8-15(21(29)31)14-6-4-3-5-7-14/h3-9,16-17,19-20,30H,10-13H2,1-2H3/t16-,17-,19+,20-/m0/s1
SMILESCN(C)C(=O)[C@@H]1[C@@H](CO)[C@@H]2CN3C(=O)C(C4=CC=CC=C4)=CC=C3[C@@H]2N1CCC(F)(F)F
MNX internals
InChI (mnx)InChI=1/C23H26F3N3O3/c1-27(2)22(32)20-17(13-30)16-12-29-18(19(16)28(20)11-10-23(24,25)26)9-8-15(21(29)31)14-6-4-3-5-7-14/h3-9,16-17,19-20,30H,10-13H2,1-2H3/t16-,17-,19+,20-/m0/s1 Image of MNXM171655
SMILES (mnx)[CH3:1][N:27]([CH3:2])[C:22]([C@@H:20]1[C@@H:17]([CH2:13][OH:30])[C@@H:16]2[CH2:12][N:29]3[C:18](=[CH:9][CH:8]=[C:15]([C:14]4=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]4)[C:21]3=[O:31])[C@@H:19]2[N:28]1[CH2:11][CH2:10][C:23]([F:24])([F:25])[F:26])=[O:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:100523
chebi:100523
LSVFVIWAXGKISN-XEYPJELSSA-N
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-7-phenyl-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide