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LSM-39956

PropertiesImage
MNX_IDMNXM530150 Image of MNXM530150
referencechebi:128401
formulaC23H29N3O2
global charge0
mol weight379.504
InChIKeyJQIVQIXEWIJDCO-GIWBLDEGSA-N
InChIInChI=1S/C23H29N3O2/c1-3-7-17-9-11-18(12-10-17)23-20(14-25-22(28)4-2)26(21(23)16-27)15-19-8-5-6-13-24-19/h3,5-13,20-21,23,27H,4,14-16H2,1-2H3,(H,25,28)/t20-,21+,23+/m1/s1
SMILESCC=CC1=CC=C([C@H]2[C@@H](CNC(=O)CC)N(CC3=CC=CC=N3)[C@H]2CO)C=C1
MNX internals
InChI (mnx)InChI=1/C23H29N3O2/c1-3-7-17-9-11-18(12-10-17)23-20(14-25-22(28)4-2)26(21(23)16-27)15-19-8-5-6-13-24-19/h3,5-13,20-21,23,27H,4,14-16H2,1-2H3,(H,25,28)/b7-3?/t20-,21+,23+/m1/s1 Image of MNXM530150
SMILES (mnx)[CH3:1][CH:3]=[CH:7][C:17]1=[CH:10][CH:12]=[C:18]([C@H:23]2[C@@H:20]([CH2:14][N:25]=[C:22]([CH2:4][CH3:2])[OH:28])[N:26]([CH2:15][C:19]3=[CH:8][CH:5]=[CH:6][CH:13]=[N:24]3)[C@H:21]2[CH2:16][OH:27])[CH:11]=[CH:9]1
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:128401
chebi:128401
JQIVQIXEWIJDCO-GIWBLDEGSA-N 		LSM-39956