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LSM-14662

PropertiesImage
MNX_IDMNXM528939 Image of MNXM528939
referencechebi:103318
formulaC25H29F3N4O3
global charge0
mol weight490.526
InChIKeyGMFBTTQFVVUQAX-VXSCBNMQSA-N
InChIInChI=1S/C25H29F3N4O3/c1-2-3-17-4-5-19-22-21(23(34)30-12-8-16-6-10-29-11-7-16)18(15-33)20(14-32(19)24(17)35)31(22)13-9-25(26,27)28/h2-7,10-11,18,20-22,33H,8-9,12-15H2,1H3,(H,30,34)/t18-,20-,21+,22+/m0/s1
SMILESCC=CC1=CC=C2[C@@H]3[C@H](C(=O)NCCC4=CC=NC=C4)[C@@H](CO)[C@H](CN2C1=O)N3CCC(F)(F)F
MNX internals
InChI (mnx)InChI=1/C25H29F3N4O3/c1-2-3-17-4-5-19-22-21(23(34)30-12-8-16-6-10-29-11-7-16)18(15-33)20(14-32(19)24(17)35)31(22)13-9-25(26,27)28/h2-7,10-11,18,20-22,33H,8-9,12-15H2,1H3,(H,30,34)/b3-2?/t18-,20-,21+,22+/m0/s1 Image of MNXM528939
SMILES (mnx)[CH3:1][CH:2]=[CH:3][C:17]1=[CH:4][CH:5]=[C:19]2[C@@H:22]3[C@H:21]([C:23](=[N:30][CH2:12][CH2:8][C:16]4=[CH:7][CH:11]=[N:29][CH:10]=[CH:6]4)[OH:34])[C@@H:18]([CH2:15][OH:33])[C@H:20]([CH2:14][N:32]2[C:24]1=[O:35])[N:31]3[CH2:13][CH2:9][C:25]([F:26])([F:27])[F:28]
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:103318
chebi:103318
GMFBTTQFVVUQAX-VXSCBNMQSA-N 		LSM-14662