2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide (CHEBI:102354)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:102354 - 2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:102354
ChEBI Name	2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
Stars
Downloads	Molfile

Formula	C27H33FN4O5
Net Charge	0
Average Mass	512.582
Monoisotopic Mass	512.24350
SMILES	CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@H]1CO2
InChI	InChI=1S/C27H33FN4O5/c1-16(2)30-27(35)31-19-8-11-23-21(12-19)26(34)32(3)22-10-9-20(37-24(22)15-36-23)13-25(33)29-14-17-4-6-18(28)7-5-17/h4-8,11-12,16,20,22,24H,9-10,13-15H2,1-3H3,(H,29,33)(H2,30,31,35)/t20-,22+,24-/m0/s1
InChIKey	CMDXATVLXHEPLP-FJIJXJHWSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide (CHEBI:102354) is a organofluorine compound (CHEBI:37143)

Manual Xrefs	Databases
LSM-13706	LINCS