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LSM-12646

PropertiesImage
MNX_IDMNXM528506 Image of MNXM528506
referencechebi:101280
formulaC25H35N3O6
global charge0
mol weight473.57
InChIKeyXYLRKRISJMFHFX-HRZDXHFQSA-N
InChIInChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20+,21+,22+/m0/s1
SMILESCO[C@@H]1CN(C)C(=O)C2=CC=CC(C#N)=C2OC[C@H]2O[C@@H](CC[C@H]2OC)CCN(C)C(=O)[C@H]1C
MNX internals
InChI (mnx)InChI=1/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20+,21+,22+/m0/s1 Image of MNXM528506
SMILES (mnx)[CH3:1][C@H:16]1[C@H:21]([O:32][CH3:5])[CH2:14][N:28]([CH3:3])[C:25](=[O:30])[C:19]2=[CH:8][CH:6]=[CH:7][C:17]([C:13]#[N:26])=[C:23]2[O:33][CH2:15][C@@H:22]2[C@H:20]([O:31][CH3:4])[CH2:10][CH2:9][C@@H:18]([CH2:11][CH2:12][N:27]([CH3:2])[C:24]1=[O:29])[O:34]2
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:101280
chebi:101280
XYLRKRISJMFHFX-HRZDXHFQSA-N 		LSM-12646