EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:111600 - N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide

ChEBI IDCHEBI:111600
ChEBI NameN-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
Stars
DownloadsMolfile
FormulaC35H43N3O6
Net Charge0
Average Mass601.744
Monoisotopic Mass601.31519
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)C3CCOCC3)cccc2C1=O
InChIInChI=1S/C35H43N3O6/c1-24-20-38(25(2)23-39)35(41)30-10-7-11-31(36-34(40)27-16-18-42-19-17-27)33(30)44-32(24)22-37(3)21-26-12-14-29(15-13-26)43-28-8-5-4-6-9-28/h4-15,24-25,27,32,39H,16-23H2,1-3H3,(H,36,40)/t24-,25+,32+/m0/s1
InChIKeyCCYKTEMVMBOJBS-BRUQSJHLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide (CHEBI:111600) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-23014LINCS