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LSM-10124

PropertiesImage
MNX_IDMNXM528061 Image of MNXM528061
referencechebi:98745
formulaC28H32N4O4
global charge0
mol weight488.588
InChIKeyHGCDJUDEQZLPFK-KUSCKROYSA-N
InChIInChI=1S/C28H32N4O4/c1-3-14-31-23-16-32-22(12-11-20(28(32)35)19-9-4-5-10-24(19)36-2)26(31)25(21(23)17-33)27(34)30-15-18-8-6-7-13-29-18/h4-13,21,23,25-26,33H,3,14-17H2,1-2H3,(H,30,34)/t21-,23-,25+,26+/m1/s1
SMILESCCCN1[C@@H]2CN3C(=O)C(C4=CC=CC=C4OC)=CC=C3[C@H]1[C@@H](C(=O)NCC1=CC=CC=N1)[C@@H]2CO
MNX internals
InChI (mnx)InChI=1/C28H32N4O4/c1-3-14-31-23-16-32-22(12-11-20(28(32)35)19-9-4-5-10-24(19)36-2)26(31)25(21(23)17-33)27(34)30-15-18-8-6-7-13-29-18/h4-13,21,23,25-26,33H,3,14-17H2,1-2H3,(H,30,34)/t21-,23-,25+,26+/m1/s1 Image of MNXM528061
SMILES (mnx)[CH3:1][CH2:3][CH2:14][N:31]1[C@@H:23]2[CH2:16][N:32]3[C:22](=[CH:12][CH:11]=[C:20]([C:19]4=[CH:9][CH:4]=[CH:5][CH:10]=[C:24]4[O:36][CH3:2])[C:28]3=[O:35])[C@H:26]1[C@@H:25]([C:27](=[N:30][CH2:15][C:18]1=[CH:8][CH:6]=[CH:7][CH:13]=[N:29]1)[OH:34])[C@@H:21]2[CH2:17][OH:33]
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:98745
chebi:98745
HGCDJUDEQZLPFK-KUSCKROYSA-N 		LSM-10124