2-[(2R,4aS,12aS)-8-[[(3,5-difluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester (CHEBI:126545)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:126545 - 2-[(2R,4aS,12aS)-8-[[(3,5-difluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

Take structure to advanced search

ChEBI ID	CHEBI:126545
ChEBI Name	2-[(2R,4aS,12aS)-8-[[(3,5-difluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
Stars
Downloads	Molfile

Formula	C24H24F2N2O6
Net Charge	0
Average Mass	474.460
Monoisotopic Mass	474.16024
SMILES	COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1
InChI	InChI=1S/C24H24F2N2O6/c1-28-19-5-4-17(11-22(29)32-2)34-21(19)12-33-20-6-3-16(10-18(20)24(28)31)27-23(30)13-7-14(25)9-15(26)8-13/h3,6-10,17,19,21H,4-5,11-12H2,1-2H3,(H,27,30)/t17-,19+,21-/m1/s1
InChIKey	GYUGZRURJGTLND-SLYNCCJLSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2R,4aS,12aS)-8-[[(3,5-difluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester (CHEBI:126545) is a carbonyl compound (CHEBI:36586)
	2-[(2R,4aS,12aS)-8-[[(3,5-difluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester (CHEBI:126545) is a organohalogen compound (CHEBI:17792)

Manual Xrefs	Databases
LSM-38109	LINCS