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LSM-10374

PropertiesImage
MNX_IDMNXM528109 Image of MNXM528109
referencechebi:98995
formulaC25H31N3O3
global charge0
mol weight421.541
InChIKeyWELAGKOSDCWUQO-LGKPFJOYSA-N
InChIInChI=1S/C25H31N3O3/c1-3-14-27-21-15-28-20(23(27)22(19(21)16-29)24(30)26-4-2)13-12-18(25(28)31)11-10-17-8-6-5-7-9-17/h5-13,19,21-23,29H,3-4,14-16H2,1-2H3,(H,26,30)/t19-,21-,22+,23+/m1/s1
SMILESCCCN1[C@@H]2CN3C(=O)C(C=CC4=CC=CC=C4)=CC=C3[C@H]1[C@@H](C(=O)NCC)[C@@H]2CO
MNX internals
InChI (mnx)InChI=1/C25H31N3O3/c1-3-14-27-21-15-28-20(23(27)22(19(21)16-29)24(30)26-4-2)13-12-18(25(28)31)11-10-17-8-6-5-7-9-17/h5-13,19,21-23,29H,3-4,14-16H2,1-2H3,(H,26,30)/b11-10?/t19-,21-,22+,23+/m1/s1 Image of MNXM528109
SMILES (mnx)[CH3:1][CH2:3][CH2:14][N:27]1[C@@H:21]2[CH2:15][N:28]3[C:20](=[CH:13][CH:12]=[C:18]([CH:11]=[CH:10][C:17]4=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]4)[C:25]3=[O:31])[C@H:23]1[C@@H:22]([C:24](=[N:26][CH2:4][CH3:2])[OH:30])[C@@H:19]2[CH2:16][OH:29]
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:98995
chebi:98995
WELAGKOSDCWUQO-LGKPFJOYSA-N 		LSM-10374