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LSM-11855

PropertiesImage
MNX_IDMNXM528368 Image of MNXM528368
referencechebi:100481
formulaC31H35N3O6
global charge0
mol weight545.636
InChIKeyAPWUXYFXBMGRIO-HNMNOHOESA-N
InChIInChI=1S/C31H35N3O6/c1-20-15-34(21(2)17-35)30(36)26-11-7-6-10-25(26)24-9-5-4-8-22(24)18-38-29(20)16-33(3)31(37)32-23-12-13-27-28(14-23)40-19-39-27/h4-14,20-21,29,35H,15-19H2,1-3H3,(H,32,37)/t20-,21+,29-/m1/s1
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)C2=CC=CC=C2C2=CC=CC=C2CO[C@@H]1CN(C)C(=O)NC1=CC2=C(C=C1)OCO2
MNX internals
InChI (mnx)InChI=1/C31H35N3O6/c1-20-15-34(21(2)17-35)30(36)26-11-7-6-10-25(26)24-9-5-4-8-22(24)18-38-29(20)16-33(3)31(37)32-23-12-13-27-28(14-23)40-19-39-27/h4-14,20-21,29,35H,15-19H2,1-3H3,(H,32,37)/t20-,21+,29-/m1/s1 Image of MNXM528368
SMILES (mnx)[CH3:1][C@@H:20]1[CH2:15][N:34]([C@@H:21]([CH3:2])[CH2:17][OH:35])[C:30](=[O:36])[C:26]2=[CH:11][CH:7]=[CH:6][CH:10]=[C:25]2[C:24]2=[CH:9][CH:5]=[CH:4][CH:8]=[C:22]2[CH2:18][O:38][C@@H:29]1[CH2:16][N:33]([CH3:3])[C:31](=[N:32][C:23]1=[CH:14][C:28]2=[C:27]([CH:13]=[CH:12]1)[O:39][CH2:19][O:40]2)[OH:37]
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:100481
chebi:100481
APWUXYFXBMGRIO-HNMNOHOESA-N 		LSM-11855