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compound 0225246

PropertiesImage
MNX_IDMNXM1138881 Image of MNXM1138881
referenceenvipathM:...badeebe30961
formulaC33H28FN2O6
global charge-1
mol weight567.593
InChIKeyUXMHVLJDKBYLIT-UHFFFAOYSA-M
InChIInChI=1S/C33H29FN2O6/c1-20(2)29-28(32(40)35-24-11-7-4-8-12-24)27(21-9-5-3-6-10-21)30(22-13-15-23(34)16-14-22)36(29)18-17-25(37)19-26(38)31(39)33(41)42/h3-16,20H,17-19H2,1-2H3,(H,35,40)(H,41,42)/p-1
SMILESCC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC=C2)=C(C2=CC=C(F)C=C2)N1CCC(=O)CC(=O)C(=O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C33H29FN2O6/c1-20(2)29-28(32(40)35-24-11-7-4-8-12-24)27(21-9-5-3-6-10-21)30(22-13-15-23(34)16-14-22)36(29)18-17-25(37)19-26(38)31(39)33(41)42/h3-16,20H,17-19H2,1-2H3,(H,35,40)(H,41,42) Image of MNXM1138881
SMILES (mnx)[CH3:1][CH:20]([CH3:2])[C:29]1=[C:28]([C:32](=[N:35][C:24]2=[CH:11][CH:7]=[CH:4][CH:8]=[CH:12]2)[OH:40])[C:27]([C:21]2=[CH:9][CH:5]=[CH:3][CH:6]=[CH:10]2)=[C:30]([C:22]2=[CH:14][CH:16]=[C:23]([F:34])[CH:15]=[CH:13]2)[N:36]1[CH2:18][CH2:17][C:25]([CH2:19][C:26]([C:31]([C:33](=[O:41])[OH:42])=[O:39])=[O:38])=[O:37]
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

envipath:...badeebe30961
envipathM:...badeebe30961
UXMHVLJDKBYLIT-UHFFFAOYSA-M
compound 0225246