EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124716 - N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide

ChEBI IDCHEBI:124716
ChEBI NameN-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
Stars
DownloadsMolfile
FormulaC34H37N5O5
Net Charge0
Average Mass595.700
Monoisotopic Mass595.27947
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3cnccn3)c2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C34H37N5O5/c1-23-19-39(24(2)22-40)34(42)28-10-7-11-29(37-33(41)30-18-35-16-17-36-30)32(28)44-31(23)21-38(3)20-25-12-14-27(15-13-25)43-26-8-5-4-6-9-26/h4-18,23-24,31,40H,19-22H2,1-3H3,(H,37,41)/t23-,24+,31+/m1/s1
InChIKeyGERLECOIYRNVRK-OXYPMYLPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide (CHEBI:124716) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-36158LINCS