EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124576 - 1-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea

ChEBI IDCHEBI:124576
ChEBI Name1-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
Stars
DownloadsMolfile
FormulaC30H35N5O6
Net Charge0
Average Mass561.639
Monoisotopic Mass561.25873
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc4c(c3)OCO4)c2O[C@H]1CN(C)Cc1ccncc1
InChIInChI=1S/C30H35N5O6/c1-19-14-35(20(2)17-36)29(37)23-5-4-6-24(33-30(38)32-22-7-8-25-26(13-22)40-18-39-25)28(23)41-27(19)16-34(3)15-21-9-11-31-12-10-21/h4-13,19-20,27,36H,14-18H2,1-3H3,(H2,32,33,38)/t19-,20+,27+/m1/s1
InChIKeyNCLMVBXMEZWKRK-JVAFGIKQSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea (CHEBI:124576) is a benzodioxoles (CHEBI:38298)
Manual XrefsDatabases
LSM-36018LINCS