EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:108610 - 1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-cyclohexylurea

ChEBI IDCHEBI:108610
ChEBI Name1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-cyclohexylurea
Stars
DownloadsMolfile
FormulaC31H42N4O6
Net Charge0
Average Mass566.699
Monoisotopic Mass566.31044
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O
InChIInChI=1S/C31H42N4O6/c1-20-15-35(21(2)18-36)30(37)24-10-7-11-25(33-31(38)32-23-8-5-4-6-9-23)29(24)41-28(20)17-34(3)16-22-12-13-26-27(14-22)40-19-39-26/h7,10-14,20-21,23,28,36H,4-6,8-9,15-19H2,1-3H3,(H2,32,33,38)/t20-,21+,28-/m0/s1
InChIKeyQXBUWZYZXJXLTK-GTNJKRJXSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-cyclohexylurea (CHEBI:108610) is a benzodioxoles (CHEBI:38298)
Manual XrefsDatabases
LSM-20010LINCS