N-[(2R,4aS,12aS)-2-[2-(cyclobutylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,3,3-trifluoropropanamide (CHEBI:98437)

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CHEBI:98437 - N-[(2R,4aS,12aS)-2-[2-(cyclobutylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,3,3-trifluoropropanamide

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ChEBI ID	CHEBI:98437
ChEBI Name	N-[(2R,4aS,12aS)-2-[2-(cyclobutylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,3,3-trifluoropropanamide
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Downloads	Molfile

Formula	C23H28F3N3O5
Net Charge	0
Average Mass	483.487
Monoisotopic Mass	483.19811
SMILES	CN1C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@@H]21
InChI	InChI=1S/C23H28F3N3O5/c1-29-17-7-6-15(10-20(30)27-13-3-2-4-13)34-19(17)12-33-18-8-5-14(9-16(18)22(29)32)28-21(31)11-23(24,25)26/h5,8-9,13,15,17,19H,2-4,6-7,10-12H2,1H3,(H,27,30)(H,28,31)/t15-,17+,19-/m1/s1
InChIKey	IKDLIQCVPGJRSQ-HHXXYDBFSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,4aS,12aS)-2-[2-(cyclobutylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,3,3-trifluoropropanamide (CHEBI:98437) is a aromatic amide (CHEBI:62733)

Manual Xrefs	Databases
LSM-9816	LINCS