N-[(2S,4aR,12aR)-2-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]oxane-4-carboxamide (CHEBI:97599)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:97599 - N-[(2S,4aR,12aR)-2-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]oxane-4-carboxamide

Take structure to advanced search

ChEBI ID	CHEBI:97599
ChEBI Name	N-[(2S,4aR,12aR)-2-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]oxane-4-carboxamide
Stars
Downloads	Molfile

Formula	C27H35N5O6
Net Charge	0
Average Mass	525.606
Monoisotopic Mass	525.25873
SMILES	Cc1nn(C)cc1NC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CCOCC4)cc3C(=O)N2C)O1
InChI	InChI=1S/C27H35N5O6/c1-16-21(14-31(2)30-16)29-25(33)13-19-5-6-22-24(38-19)15-37-23-7-4-18(12-20(23)27(35)32(22)3)28-26(34)17-8-10-36-11-9-17/h4,7,12,14,17,19,22,24H,5-6,8-11,13,15H2,1-3H3,(H,28,34)(H,29,33)/t19-,22+,24-/m0/s1
InChIKey	KFDLRFOLOVMTJG-KWOQKUFVSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,4aR,12aR)-2-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]oxane-4-carboxamide (CHEBI:97599) is a aromatic amide (CHEBI:62733)

Manual Xrefs	Databases
LSM-8978	LINCS