CHEBI:97795 - N-[(2S,4aR,12aS)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

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ChEBI Name N-[(2S,4aR,12aS)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
ChEBI ID CHEBI:97795
Stars This entity has been manually annotated by a third party.
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Formula C27H29F2N3O6
Net Charge 0
Average Mass 529.533
Monoisotopic Mass 529.20244
InChI InChI=1S/C27H29F2N3O6/c1-31-22-6-4-18(14-25(33)32-8-10-36-11-9-32)38-24(22)15-37-23-7-3-17(13-19(23)27(31)35)30-26(34)16-2-5-20(28)21(29)12-16/h2-3,5,7,12-13,18,22,24H,4,6,8-11,14-15H2,1H3,(H,30,34)/t18-,22+,24+/m0/s1
InChIKey RISZPRWRWDPXQV-KUWBRRTOSA-N
SMILES CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N5CCOCC5
ChEBI Ontology
Outgoing N-[(2S,4aR,12aS)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide (CHEBI:97795) is a carbonyl compound (CHEBI:36586)
N-[(2S,4aR,12aS)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide (CHEBI:97795) is a organohalogen compound (CHEBI:17792)
Manual Xref Database
LSM-9174 LINCS
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