EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124610 - 4-(dimethylamino)-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

ChEBI IDCHEBI:124610
ChEBI Name4-(dimethylamino)-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
Stars
DownloadsMolfile
FormulaC36H48N4O5
Net Charge0
Average Mass616.803
Monoisotopic Mass616.36247
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCCN(C)C)ccc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C36H48N4O5/c1-26-22-40(27(2)25-41)36(43)21-29-20-30(37-35(42)12-9-19-38(3)4)15-18-33(29)45-34(26)24-39(5)23-28-13-16-32(17-14-28)44-31-10-7-6-8-11-31/h6-8,10-11,13-18,20,26-27,34,41H,9,12,19,21-25H2,1-5H3,(H,37,42)/t26-,27-,34+/m0/s1
InChIKeyPSLIAFXEJSBFAE-IYKVEEHISA-N
ChEBI Ontology
Outgoing Relation(s)
4-(dimethylamino)-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide (CHEBI:124610) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-36052LINCS