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LSM-7142

PropertiesImage
MNX_IDMNXM530606 Image of MNXM530606
referencechebi:95763
formulaC25H31FN4O4
global charge0
mol weight470.545
InChIKeyDRXNQUOVPOKVMH-GSHUGGBRSA-N
InChIInChI=1S/C25H31FN4O4/c1-5-6-18-11-21-23(27-12-18)34-22(16(2)13-30(24(21)32)17(3)15-31)14-29(4)25(33)28-20-9-7-19(26)8-10-20/h5-12,16-17,22,31H,13-15H2,1-4H3,(H,28,33)/t16-,17+,22+/m0/s1
SMILESCC=CC1=CN=C2O[C@H](CN(C)C(=O)NC3=CC=C(F)C=C3)[C@@H](C)CN([C@H](C)CO)C(=O)C2=C1
MNX internals
InChI (mnx)InChI=1/C25H31FN4O4/c1-5-6-18-11-21-23(27-12-18)34-22(16(2)13-30(24(21)32)17(3)15-31)14-29(4)25(33)28-20-9-7-19(26)8-10-20/h5-12,16-17,22,31H,13-15H2,1-4H3,(H,28,33)/b6-5?/t16-,17+,22+/m0/s1 Image of MNXM530606
SMILES (mnx)[CH3:1][CH:5]=[CH:6][C:18]1=[CH:11][C:21]2=[C:23]([N:27]=[CH:12]1)[O:34][C@H:22]([CH2:14][N:29]([CH3:4])[C:25]([NH:28][C:20]1=[CH:10][CH:8]=[C:19]([F:26])[CH:7]=[CH:9]1)=[O:33])[C@@H:16]([CH3:2])[CH2:13][N:30]([C@H:17]([CH3:3])[CH2:15][OH:31])[C:24]2=[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:95763
chebi:95763
DRXNQUOVPOKVMH-GSHUGGBRSA-N 		LSM-7142