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LSM-10938

PropertiesImage
MNX_IDMNXM528209 Image of MNXM528209
referencechebi:99559
formulaC28H29FN4O3
global charge0
mol weight488.563
InChIKeyPGXATXJTQODNDY-AFQFEXIYSA-N
InChIInChI=1S/C28H29FN4O3/c29-22-6-2-1-5-19(22)20-9-10-23-26-25(27(35)31-13-17-7-8-17)21(16-34)24(15-33(23)28(20)36)32(26)14-18-4-3-11-30-12-18/h1-6,9-12,17,21,24-26,34H,7-8,13-16H2,(H,31,35)/t21-,24-,25+,26+/m1/s1
SMILESO=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2CN3C(=O)C(C4=CC=CC=C4F)=CC=C3[C@@H]1N2CC1=CN=CC=C1
MNX internals
InChI (mnx)InChI=1/C28H29FN4O3/c29-22-6-2-1-5-19(22)20-9-10-23-26-25(27(35)31-13-17-7-8-17)21(16-34)24(15-33(23)28(20)36)32(26)14-18-4-3-11-30-12-18/h1-6,9-12,17,21,24-26,34H,7-8,13-16H2,(H,31,35)/t21-,24-,25+,26+/m1/s1 Image of MNXM528209
SMILES (mnx)[CH:1]1=[CH:2][CH:6]=[C:22]([F:29])[C:19]([C:20]2=[CH:9][CH:10]=[C:23]3[C@H:26]4[C@@H:25]([C:27](=[N:31][CH2:13][CH:17]5[CH2:7][CH2:8]5)[OH:35])[C@H:21]([CH2:16][OH:34])[C@@H:24]([CH2:15][N:33]3[C:28]2=[O:36])[N:32]4[CH2:14][C:18]2=[CH:12][N:30]=[CH:11][CH:3]=[CH:4]2)=[CH:5]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:99559
chebi:99559
PGXATXJTQODNDY-AFQFEXIYSA-N 		LSM-10938