EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:106348 - (2S,3R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:106348
ChEBI Name(2S,3R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
Stars
DownloadsMolfile
FormulaC22H31N3O4
Net Charge0
Average Mass401.507
Monoisotopic Mass401.23146
SMILESCNC[C@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChIInChI=1S/C22H31N3O4/c1-15-13-25(16(2)14-26)21(27)18-10-17(6-9-22(28)7-4-5-8-22)11-24-20(18)29-19(15)12-23-3/h10-11,15-16,19,23,26,28H,4-5,7-8,12-14H2,1-3H3/t15-,16+,19-/m1/s1
InChIKeyRMBUYXDJUXDIKM-JTDSTZFVSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:106348) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-17708LINCS