Search MNXref
 Feedback

LSM-10843

PropertiesImage
MNX_IDMNXM528187 Image of MNXM528187
referencechebi:99464
formulaC24H30F3N3O3
global charge0
mol weight465.516
InChIKeyAMCQVYASXAVENJ-PBASOCQRSA-N
InChIInChI=1S/C24H30F3N3O3/c25-24(26,27)9-10-29-19-12-30-18(8-7-16(23(30)33)15-3-1-2-4-15)21(29)20(17(19)13-31)22(32)28-11-14-5-6-14/h3,7-8,14,17,19-21,31H,1-2,4-6,9-13H2,(H,28,32)/t17-,19-,20+,21+/m1/s1
SMILESO=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2CN3C(=O)C(C4=CCCC4)=CC=C3[C@@H]1N2CCC(F)(F)F
MNX internals
InChI (mnx)InChI=1/C24H30F3N3O3/c25-24(26,27)9-10-29-19-12-30-18(8-7-16(23(30)33)15-3-1-2-4-15)21(29)20(17(19)13-31)22(32)28-11-14-5-6-14/h3,7-8,14,17,19-21,31H,1-2,4-6,9-13H2,(H,28,32)/t17-,19-,20+,21+/m1/s1 Image of MNXM528187
SMILES (mnx)[CH2:1]1[CH2:2][CH2:4][C:15]([C:16]2=[CH:7][CH:8]=[C:18]3[C@H:21]4[C@@H:20]([C:22](=[N:28][CH2:11][CH:14]5[CH2:5][CH2:6]5)[OH:32])[C@H:17]([CH2:13][OH:31])[C@@H:19]([CH2:12][N:30]3[C:23]2=[O:33])[N:29]4[CH2:10][CH2:9][C:24]([F:25])([F:26])[F:27])=[CH:3]1
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:99464
chebi:99464
AMCQVYASXAVENJ-PBASOCQRSA-N 		LSM-10843