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LSM-13673

PropertiesImage
MNX_IDMNXM528690 Image of MNXM528690
referencechebi:102320
formulaC25H29FN2O4
global charge0
mol weight440.515
InChIKeyPYNGVIMXOMYUPN-QQUTXWOLSA-N
InChIInChI=1S/C25H29FN2O4/c1-32-25(31)22-18(14-29)21-13-28-20(23(22)27(21)12-15-6-2-3-7-15)11-10-17(24(28)30)16-8-4-5-9-19(16)26/h4-5,8-11,15,18,21-23,29H,2-3,6-7,12-14H2,1H3/t18-,21-,22+,23+/m1/s1
SMILESCOC(=O)[C@H]1[C@H](CO)[C@H]2CN3C(=O)C(C4=CC=CC=C4F)=CC=C3[C@@H]1N2CC1CCCC1
MNX internals
InChI (mnx)InChI=1/C25H29FN2O4/c1-32-25(31)22-18(14-29)21-13-28-20(23(22)27(21)12-15-6-2-3-7-15)11-10-17(24(28)30)16-8-4-5-9-19(16)26/h4-5,8-11,15,18,21-23,29H,2-3,6-7,12-14H2,1H3/t18-,21-,22+,23+/m1/s1 Image of MNXM528690
SMILES (mnx)[CH3:1][O:32][C:25]([C@H:22]1[C@H:18]([CH2:14][OH:29])[C@H:21]2[CH2:13][N:28]3[C:20](=[CH:11][CH:10]=[C:17]([C:16]4=[CH:8][CH:4]=[CH:5][CH:9]=[C:19]4[F:26])[C:24]3=[O:30])[C@@H:23]1[N:27]2[CH2:12][CH:15]1[CH2:6][CH2:2][CH2:3][CH2:7]1)=[O:31]
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:102320
chebi:102320
PYNGVIMXOMYUPN-QQUTXWOLSA-N 		LSM-13673