EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:113681 - N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide

ChEBI IDCHEBI:113681
ChEBI NameN-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
Stars
DownloadsMolfile
FormulaC29H37N3O6
Net Charge0
Average Mass523.630
Monoisotopic Mass523.26824
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)C3CC3)cc2CC1=O
InChIInChI=1S/C29H37N3O6/c1-18-13-32(19(2)16-33)28(34)12-22-11-23(30-29(35)21-5-6-21)7-9-24(22)38-27(18)15-31(3)14-20-4-8-25-26(10-20)37-17-36-25/h4,7-11,18-19,21,27,33H,5-6,12-17H2,1-3H3,(H,30,35)/t18-,19+,27+/m0/s1
InChIKeyWXJCYEGRNWVSCE-DSNGTPCMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide (CHEBI:113681) is a benzodioxoles (CHEBI:38298)
Manual XrefsDatabases
LSM-25113LINCS