Search MNXref
 Feedback

LSM-30896

PropertiesImage
MNX_IDMNXM529642 Image of MNXM529642
referencechebi:119447
formulaC31H36N2O5
global charge0
mol weight516.638
InChIKeyPMCUDQOGLWYNQY-BOSRLCDASA-N
InChIInChI=1S/C31H36N2O5/c1-21-13-15-25(16-14-21)38-31(36)32(4)18-29-22(2)17-33(23(3)19-34)30(35)28-12-8-7-11-27(28)26-10-6-5-9-24(26)20-37-29/h5-16,22-23,29,34H,17-20H2,1-4H3/t22-,23-,29-/m0/s1
SMILESCC1=CC=C(OC(=O)N(C)C[C@@H]2OCC3=CC=CC=C3C3=CC=CC=C3C(=O)N([C@@H](C)CO)C[C@@H]2C)C=C1
MNX internals
InChI (mnx)InChI=1/C31H36N2O5/c1-21-13-15-25(16-14-21)38-31(36)32(4)18-29-22(2)17-33(23(3)19-34)30(35)28-12-8-7-11-27(28)26-10-6-5-9-24(26)20-37-29/h5-16,22-23,29,34H,17-20H2,1-4H3/t22-,23-,29-/m0/s1 Image of MNXM529642
SMILES (mnx)[CH3:1][C:21]1=[CH:14][CH:16]=[C:25]([O:38][C:31]([N:32]([CH3:4])[CH2:18][C@H:29]2[C@@H:22]([CH3:2])[CH2:17][N:33]([C@@H:23]([CH3:3])[CH2:19][OH:34])[C:30](=[O:35])[C:28]3=[CH:12][CH:8]=[CH:7][CH:11]=[C:27]3[C:26]3=[CH:10][CH:6]=[CH:5][CH:9]=[C:24]3[CH2:20][O:37]2)=[O:36])[CH:15]=[CH: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:119447
chebi:119447
PMCUDQOGLWYNQY-BOSRLCDASA-N 		LSM-30896