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LSM-38078

PropertiesImage
MNX_IDMNXM529981 Image of MNXM529981
referencechebi:126514
formulaC25H35N3O6
global charge0
mol weight473.57
InChIKeyKKWAEGUSNQIREC-PZMMLYQQSA-N
InChIInChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-12-11-18-9-10-20(31-4)22(34-18)15-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20+,21-,22-/m1/s1
SMILESCO[C@H]1CC[C@H]2CCOC3=C(C#N)C=CC=C3C(=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/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-12-11-18-9-10-20(31-4)22(34-18)15-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20+,21-,22-/m1/s1 Image of MNXM529981
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][CH2:12][CH2:11][C@@H:18]2[CH2:9][CH2:10][C@H:20]([O:31][CH3:4])[C@@H:22]([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:126514
chebi:126514
KKWAEGUSNQIREC-PZMMLYQQSA-N 		LSM-38078