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

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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
ChEBI ID CHEBI:103016
Stars This entity has been manually annotated by a third party.
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Formula C25H32F3N5O5
Net Charge 0
Average Mass 539.548
Monoisotopic Mass 539.23555
InChI InChI=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
InChIKey TWGHTEGHSVIJBR-KJJMTIBFSA-N
SMILES CN1C=C(N=C1)CCNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3C(=O)NC4=CC=C(C=C4)C(F)(F)F)O
ChEBI Ontology
Outgoing (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)
Manual Xref Database
LSM-14362 LINCS
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