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CHEBI:103016 - (3S,6aR,8S,10aR)-3-hydroxy-8-[2-[2-(1-methyl-4-imidazolyl)ethylamino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

ChEBI IDCHEBI:103016
ChEBI Name(3S,6aR,8S,10aR)-3-hydroxy-8-[2-[2-(1-methyl-4-imidazolyl)ethylamino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
Stars
DownloadsMolfile
FormulaC25H32F3N5O5
Net Charge0
Average Mass539.555
Monoisotopic Mass539.23555
SMILESCn1cnc(CCNC(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@@H](O)CN3C(=O)Nc3ccc(C(F)(F)F)cc3)O2)c1
InChIInChI=1S/C25H32F3N5O5/c1-32-11-18(30-15-32)8-9-29-23(35)10-20-6-7-21-22(38-20)14-37-13-19(34)12-33(21)24(36)31-17-4-2-16(3-5-17)25(26,27)28/h2-5,11,15,19-22,34H,6-10,12-14H2,1H3,(H,29,35)(H,31,36)/t19-,20-,21+,22-/m0/s1
InChIKeyTWGHTEGHSVIJBR-KJJMTIBFSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,6aR,8S,10aR)-3-hydroxy-8-[2-[2-(1-methyl-4-imidazolyl)ethylamino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide (CHEBI:103016) is a ureas (CHEBI:47857)
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