2-[(2R,4aS,12aS)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CHEBI:98079)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:98079 - 2-[(2R,4aS,12aS)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide

Take structure to advanced search

ChEBI ID	CHEBI:98079
ChEBI Name	2-[(2R,4aS,12aS)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
Stars
Downloads	Molfile

Formula	C31H35N3O7S
Net Charge	0
Average Mass	593.702
Monoisotopic Mass	593.21957
SMILES	COc1ccccc1CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3C(=O)N2C)O1
InChI	InChI=1S/C31H35N3O7S/c1-20-8-12-24(13-9-20)42(37,38)33-22-10-15-28-25(16-22)31(36)34(2)26-14-11-23(41-29(26)19-40-28)17-30(35)32-18-21-6-4-5-7-27(21)39-3/h4-10,12-13,15-16,23,26,29,33H,11,14,17-19H2,1-3H3,(H,32,35)/t23-,26+,29-/m1/s1
InChIKey	GYVRMNXHBKDJFJ-ZSOKXDGFSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2R,4aS,12aS)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CHEBI:98079) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-9458	LINCS