EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:127104 - N-[(2R,3S)-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]-4-pyridinecarboxamide

ChEBI IDCHEBI:127104
ChEBI NameN-[(2R,3S)-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]-4-pyridinecarboxamide
Stars
DownloadsMolfile
FormulaC35H38N4O4
Net Charge0
Average Mass578.713
Monoisotopic Mass578.28931
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O
InChIInChI=1S/C35H38N4O4/c1-24-20-39(25(2)23-40)35(42)31-19-30(37-34(41)29-15-17-36-18-16-29)13-14-32(31)43-33(24)22-38(3)21-26-9-11-28(12-10-26)27-7-5-4-6-8-27/h4-19,24-25,33,40H,20-23H2,1-3H3,(H,37,41)/t24-,25+,33-/m0/s1
InChIKeyHPXQJKADXJMKNX-DVIHYUSWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-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]-4-pyridinecarboxamide (CHEBI:127104) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-38667LINCS