N-[(2S,4aR,12aS)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-(trifluoromethyl)benzamide (CHEBI:98368)

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CHEBI:98368 - N-[(2S,4aR,12aS)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-(trifluoromethyl)benzamide

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ChEBI ID	CHEBI:98368
ChEBI Name	N-[(2S,4aR,12aS)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-(trifluoromethyl)benzamide
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Formula	C33H32F3N3O5
Net Charge	0
Average Mass	607.629
Monoisotopic Mass	607.22941
SMILES	CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@H]2O[C@H](CC(=O)NC3Cc4ccccc4C3)CC[C@H]21
InChI	InChI=1S/C33H32F3N3O5/c1-39-27-12-11-25(17-30(40)37-24-14-20-4-2-3-5-21(20)15-24)44-29(27)18-43-28-13-10-23(16-26(28)32(39)42)38-31(41)19-6-8-22(9-7-19)33(34,35)36/h2-10,13,16,24-25,27,29H,11-12,14-15,17-18H2,1H3,(H,37,40)(H,38,41)/t25-,27+,29+/m0/s1
InChIKey	CCWJWXJNOLFYBD-BOSLPAGOSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,4aR,12aS)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-(trifluoromethyl)benzamide (CHEBI:98368) is a (trifluoromethyl)benzenes (CHEBI:83565)

Manual Xrefs	Databases
LSM-9747	LINCS