Search MNXref
 Feedback

LSM-11512

PropertiesImage
MNX_IDMNXM528310 Image of MNXM528310
referencechebi:100133
formulaC30H35FN2O3
global charge0
mol weight490.619
InChIKeyZIZYGTWNPVBARE-UETOGOEVSA-N
InChIInChI=1S/C30H35FN2O3/c1-21-16-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-36-29(21)18-32(3)17-23-9-8-11-25(31)15-23/h4-15,21-22,29,34H,16-20H2,1-3H3/t21-,22+,29-/m1/s1
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)C2=CC=CC=C2C2=CC=CC=C2CO[C@@H]1CN(C)CC1=CC(F)=CC=C1
MNX internals
InChI (mnx)InChI=1/C30H35FN2O3/c1-21-16-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-36-29(21)18-32(3)17-23-9-8-11-25(31)15-23/h4-15,21-22,29,34H,16-20H2,1-3H3/t21-,22+,29-/m1/s1 Image of MNXM528310
SMILES (mnx)[CH3:1][C@@H:21]1[CH2:16][N:33]([C@@H:22]([CH3:2])[CH2:19][OH:34])[C:30](=[O:35])[C:28]2=[CH:14][CH:7]=[CH:6][CH:13]=[C:27]2[C:26]2=[CH:12][CH:5]=[CH:4][CH:10]=[C:24]2[CH2:20][O:36][C@@H:29]1[CH2:18][N:32]([CH3:3])[CH2:17][C:23]1=[CH:15][C:25]([F:31])=[CH:11][CH:8]=[CH:9]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:100133
chebi:100133
ZIZYGTWNPVBARE-UETOGOEVSA-N 		LSM-11512