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LSM-39279

PropertiesImage
MNX_IDMNXM530089 Image of MNXM530089
referencechebi:127722
formulaC25H35N3O6
global charge0
mol weight473.57
InChIKeyKBGVHZBKJITMSF-MRNSCZIKSA-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+/m1/s1
SMILESCO[C@H]1CC[C@@H]2CCOC3=C(C=C(C#N)C=C3)C(=O)N(C)C[C@H](OC)[C@@H](C)C(=O)N(C)C[C@@H]1O2
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+/m1/s1 Image of MNXM530089
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:127722
chebi:127722
KBGVHZBKJITMSF-MRNSCZIKSA-N 		LSM-39279