2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide (CHEBI:102438)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:102438 - 2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide

Take structure to advanced search

ChEBI ID	CHEBI:102438
ChEBI Name	2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide
Stars
Downloads	Molfile

Formula	C26H32N4O5
Net Charge	0
Average Mass	480.565
Monoisotopic Mass	480.23727
SMILES	CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1
InChI	InChI=1S/C26H32N4O5/c1-29(2)24(31)14-19-10-11-21-23(35-19)16-34-22-12-9-18(13-20(22)25(32)30(21)3)28-26(33)27-15-17-7-5-4-6-8-17/h4-9,12-13,19,21,23H,10-11,14-16H2,1-3H3,(H2,27,28,33)/t19-,21-,23-/m1/s1
InChIKey	IOGMTQBPALZMTJ-KJXAQDMKSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide (CHEBI:102438) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-13789	LINCS