EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:127358 - (2R,3R)-8-[3-(dimethylamino)prop-1-ynyl]-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:127358
ChEBI Name(2R,3R)-8-[3-(dimethylamino)prop-1-ynyl]-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
Stars
DownloadsMolfile
FormulaC27H35FN4O3
Net Charge0
Average Mass482.600
Monoisotopic Mass482.26932
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@H]1CN(C)Cc1cccc(F)c1
InChIInChI=1S/C27H35FN4O3/c1-19-15-32(20(2)18-33)27(34)24-13-21(9-7-11-30(3)4)14-29-26(24)35-25(19)17-31(5)16-22-8-6-10-23(28)12-22/h6,8,10,12-14,19-20,25,33H,11,15-18H2,1-5H3/t19-,20-,25+/m1/s1
InChIKeyUOHQMYXKCBJNRU-FHAGJXEFSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(2R,3R)-8-[3-(dimethylamino)prop-1-ynyl]-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:127358) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-38916LINCS