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LSM-10029

PropertiesImage
MNX_IDMNXM528044 Image of MNXM528044
referencechebi:98650
formulaC29H35N3O3
global charge0
mol weight473.617
InChIKeyJEKWQBVWBTUQQJ-RXYILKCJSA-N
InChIInChI=1S/C29H35N3O3/c1-21-16-32(22(2)19-33)29(34)27-13-7-6-12-26(27)25-11-5-4-10-24(25)20-35-28(21)18-31(3)17-23-9-8-14-30-15-23/h4-15,21-22,28,33H,16-20H2,1-3H3/t21-,22-,28+/m0/s1
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)C2=CC=CC=C2C2=CC=CC=C2CO[C@@H]1CN(C)CC1=CN=CC=C1
MNX internals
InChI (mnx)InChI=1/C29H35N3O3/c1-21-16-32(22(2)19-33)29(34)27-13-7-6-12-26(27)25-11-5-4-10-24(25)20-35-28(21)18-31(3)17-23-9-8-14-30-15-23/h4-15,21-22,28,33H,16-20H2,1-3H3/t21-,22-,28+/m0/s1 Image of MNXM528044
SMILES (mnx)[CH3:1][C@H:21]1[CH2:16][N:32]([C@@H:22]([CH3:2])[CH2:19][OH:33])[C:29](=[O:34])[C:27]2=[CH:13][CH:7]=[CH:6][CH:12]=[C:26]2[C:25]2=[CH:11][CH:5]=[CH:4][CH:10]=[C:24]2[CH2:20][O:35][C@@H:28]1[CH2:18][N:31]([CH3:3])[CH2:17][C:23]1=[CH:15][N:30]=[CH:14][CH:8]=[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:98650
chebi:98650
JEKWQBVWBTUQQJ-RXYILKCJSA-N 		LSM-10029