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LSM-41631

PropertiesImage
MNX_IDMNXM530302 Image of MNXM530302
referencechebi:130081
formulaC25H35N3O6
global charge0
mol weight473.57
InChIKeyKBGVHZBKJITMSF-UOXSANAJSA-N
InChIInChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-11-10-18-7-9-21(31-4)23(34-18)15-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21+,22-,23+/m0/s1
SMILESCO[C@H]1CN(C)C(=O)C2=C(C=CC(C#N)=C2)OCC[C@@H]2CC[C@@H](OC)[C@@H](CN(C)C(=O)[C@H]1C)O2
MNX internals
InChI (mnx)InChI=1/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-11-10-18-7-9-21(31-4)23(34-18)15-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21+,22-,23+/m0/s1 Image of MNXM530302
SMILES (mnx)[CH3:1][C@H:16]1[C@@H:22]([O:32][CH3:5])[CH2:14][N:28]([CH3:3])[C:25](=[O:30])[C:19]2=[C:20]([CH:8]=[CH:6][C:17]([C:13]#[N:26])=[CH:12]2)[O:33][CH2:11][CH2:10][C@@H:18]2[CH2:7][CH2:9][C@@H:21]([O:31][CH3:4])[C@@H:23]([CH2:15][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:130081
chebi:130081
KBGVHZBKJITMSF-UOXSANAJSA-N 		LSM-41631