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LSM-13184

PropertiesImage
MNX_IDMNXM528594 Image of MNXM528594
referencechebi:101822
formulaC31H36N2O5
global charge0
mol weight516.638
InChIKeyQELHGDMSGADVOM-IEOSBIPESA-N
InChIInChI=1S/C31H36N2O5/c1-21-16-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-25(26)20-38-29(21)18-32(3)17-23-9-8-11-24(15-23)31(36)37/h4-15,21-22,29,34H,16-20H2,1-3H3,(H,36,37)/t21-,22-,29-/m1/s1
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)C2=CC=CC=C2C2=CC=CC=C2CO[C@@H]1CN(C)CC1=CC=CC(C(=O)O)=C1
MNX internals
InChI (mnx)InChI=1/C31H36N2O5/c1-21-16-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-25(26)20-38-29(21)18-32(3)17-23-9-8-11-24(15-23)31(36)37/h4-15,21-22,29,34H,16-20H2,1-3H3,(H,36,37)/t21-,22-,29-/m1/s1 Image of MNXM528594
SMILES (mnx)[CH3:1][C@@H:21]1[CH2:16][N:33]([C@H:22]([CH3:2])[CH2:19][OH:34])[C:30](=[O:35])[C:28]2=[CH:14][CH:7]=[CH:6][CH:13]=[C:27]2[C:26]2=[CH:12][CH:5]=[CH:4][CH:10]=[C:25]2[CH2:20][O:38][C@@H:29]1[CH2:18][N:32]([CH3:3])[CH2:17][C:23]1=[CH:15][C:24]([C:31](=[O:36])[OH:37])=[CH:11][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:101822
chebi:101822
QELHGDMSGADVOM-IEOSBIPESA-N 		LSM-13184