EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:127059 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

ChEBI IDCHEBI:127059
ChEBI NameN-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
Stars
DownloadsMolfile
FormulaC36H46N4O5
Net Charge0
Average Mass614.787
Monoisotopic Mass614.34682
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C36H46N4O5/c1-26-22-40(27(2)25-41)36(43)32-21-31(37-35(42)15-16-39-17-19-44-20-18-39)13-14-33(32)45-34(26)24-38(3)23-28-9-11-30(12-10-28)29-7-5-4-6-8-29/h4-14,21,26-27,34,41H,15-20,22-25H2,1-3H3,(H,37,42)/t26-,27-,34-/m1/s1
InChIKeyBPRBOEBHCISTIC-TVMHKENRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:127059) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-38622LINCS