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(6R,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-4-[(3-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

PropertiesImage
MNX_IDMNXM172874 Image of MNXM172874
referencechebi:128061
formulaC26H27FN2O3
global charge0
mol weight434.511
InChIKeyAWOAWKSUOZEGPG-SONWIMMPSA-N
InChIInChI=1S/C26H27FN2O3/c27-21-8-4-7-20(13-21)26(32)28-14-22-25(23(16-30)29(22)24(31)15-28)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h4-5,7-13,22-23,25,30H,1-3,6,14-16H2/t22-,23-,25+/m0/s1
SMILESO=C(C1=CC(F)=CC=C1)N1CC(=O)N2[C@@H](CO)[C@H](C3=CC=C(C4=CCCCC4)C=C3)[C@@H]2C1
MNX internals
InChI (mnx)InChI=1/C26H27FN2O3/c27-21-8-4-7-20(13-21)26(32)28-14-22-25(23(16-30)29(22)24(31)15-28)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h4-5,7-13,22-23,25,30H,1-3,6,14-16H2/t22-,23-,25+/m0/s1 Image of MNXM172874
SMILES (mnx)[CH2:1]1[CH2:2][CH:5]=[C:17]([C:18]2=[CH:10][CH:12]=[C:19]([C@@H:25]3[C@@H:22]4[CH2:14][N:28]([C:26]([C:20]5=[CH:13][C:21]([F:27])=[CH:8][CH:4]=[CH:7]5)=[O:32])[CH2:15][C:24](=[O:31])[N:29]4[C@H:23]3[CH2:16][OH:30])[CH:11]=[CH:9]2)[CH2:6][CH2:3]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:128061
chebi:128061
AWOAWKSUOZEGPG-SONWIMMPSA-N
(6R,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-4-[(3-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one