2-[(2R,4aS,12aR)-5-methyl-8-[[(4-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide (CHEBI:100082)

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CHEBI:100082 - 2-[(2R,4aS,12aR)-5-methyl-8-[[(4-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide

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ChEBI ID	CHEBI:100082
ChEBI Name	2-[(2R,4aS,12aR)-5-methyl-8-[[(4-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
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Downloads	Molfile

Formula	C26H29F3N4O5
Net Charge	0
Average Mass	534.535
Monoisotopic Mass	534.20900
SMILES	Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)NCC(F)(F)F)O[C@H]2CO3)cc1
InChI	InChI=1S/C26H29F3N4O5/c1-15-3-5-16(6-4-15)31-25(36)32-17-7-10-21-19(11-17)24(35)33(2)20-9-8-18(38-22(20)13-37-21)12-23(34)30-14-26(27,28)29/h3-7,10-11,18,20,22H,8-9,12-14H2,1-2H3,(H,30,34)(H2,31,32,36)/t18-,20+,22+/m1/s1
InChIKey	PPTVZYJXLGYDRY-CBQOVEMMSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2R,4aS,12aR)-5-methyl-8-[[(4-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide (CHEBI:100082) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-11461	LINCS