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LSM-10155

PropertiesImage
MNX_IDMNXM528069 Image of MNXM528069
referencechebi:98776
formulaC25H35N3O6
global charge0
mol weight473.57
InChIKeyYDHXSWOLXDIZHC-MYCSGDSKSA-N
InChIInChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21-,22+,23-/m1/s1
SMILESCO[C@H]1CN(C)C(=O)C2=C(C=CC(C#N)=C2)OC[C@H]2O[C@H](CC[C@H]2OC)CCN(C)C(=O)[C@@H]1C
MNX internals
InChI (mnx)InChI=1/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21-,22+,23-/m1/s1 Image of MNXM528069
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][CH2:15][C@@H:23]2[C@H:21]([O:31][CH3:4])[CH2:9][CH2:7][C@H:18]([CH2:10][CH2:11][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:98776
chebi:98776
YDHXSWOLXDIZHC-MYCSGDSKSA-N 		LSM-10155