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LSM-25525

PropertiesImage
MNX_IDMNXM529267 Image of MNXM529267
referencechebi:114093
formulaC23H29N5O4
global charge0
mol weight439.516
InChIKeyYMXRISRBAYOBDY-FTRWYGJKSA-N
InChIInChI=1S/C23H29N5O4/c1-5-6-17-9-18-21(26-10-17)32-20(15(2)12-28(22(18)30)16(3)14-29)13-27(4)23(31)19-11-24-7-8-25-19/h5-11,15-16,20,29H,12-14H2,1-4H3/t15-,16-,20-/m0/s1
SMILESCC=CC1=CN=C2O[C@@H](CN(C)C(=O)C3=NC=CN=C3)[C@@H](C)CN([C@@H](C)CO)C(=O)C2=C1
MNX internals
InChI (mnx)InChI=1/C23H29N5O4/c1-5-6-17-9-18-21(26-10-17)32-20(15(2)12-28(22(18)30)16(3)14-29)13-27(4)23(31)19-11-24-7-8-25-19/h5-11,15-16,20,29H,12-14H2,1-4H3/b6-5?/t15-,16-,20-/m0/s1 Image of MNXM529267
SMILES (mnx)[CH3:1][CH:5]=[CH:6][C:17]1=[CH:9][C:18]2=[C:21]([N:26]=[CH:10]1)[O:32][C@@H:20]([CH2:13][N:27]([CH3:4])[C:23]([C:19]1=[N:25][CH:8]=[CH:7][N:24]=[CH:11]1)=[O:31])[C@@H:15]([CH3:2])[CH2:12][N:28]([C@@H:16]([CH3:3])[CH2:14][OH:29])[C:22]2=[O:30]
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:114093
chebi:114093
YMXRISRBAYOBDY-FTRWYGJKSA-N 		LSM-25525