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LSM-13515

PropertiesImage
MNX_IDMNXM528660 Image of MNXM528660
referencechebi:102156
formulaC27H36N2O3
global charge0
mol weight436.596
InChIKeyXOTAGUVNSWBDBY-UNVFRBQDSA-N
InChIInChI=1S/C27H36N2O3/c1-19-14-29(20(2)17-30)27(31)25-11-7-6-10-24(25)23-9-5-4-8-22(23)18-32-26(19)16-28(3)15-21-12-13-21/h4-11,19-21,26,30H,12-18H2,1-3H3/t19-,20+,26-/m0/s1
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CC2)OCC2=CC=CC=C2C2=CC=CC=C2C1=O
MNX internals
InChI (mnx)InChI=1/C27H36N2O3/c1-19-14-29(20(2)17-30)27(31)25-11-7-6-10-24(25)23-9-5-4-8-22(23)18-32-26(19)16-28(3)15-21-12-13-21/h4-11,19-21,26,30H,12-18H2,1-3H3/t19-,20+,26-/m0/s1 Image of MNXM528660
SMILES (mnx)[CH3:1][C@H:19]1[CH2:14][N:29]([C@H:20]([CH3:2])[CH2:17][OH:30])[C:27](=[O:31])[C:25]2=[CH:11][CH:7]=[CH:6][CH:10]=[C:24]2[C:23]2=[CH:9][CH:5]=[CH:4][CH:8]=[C:22]2[CH2:18][O:32][C@H:26]1[CH2:16][N:28]([CH3:3])[CH2:15][CH:21]1[CH2:12][CH2:13]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:102156
chebi:102156
XOTAGUVNSWBDBY-UNVFRBQDSA-N 		LSM-13515