4,4,4-trifluoro-N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylbutanamide (CHEBI:95490)

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CHEBI:95490 - 4,4,4-trifluoro-N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylbutanamide

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ChEBI ID	CHEBI:95490
ChEBI Name	4,4,4-trifluoro-N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylbutanamide
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Downloads	Molfile

Formula	C20H32F3N5O4
Net Charge	0
Average Mass	463.501
Monoisotopic Mass	463.24064
SMILES	C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)CCC(F)(F)F
InChI	InChI=1S/C20H32F3N5O4/c1-14-9-28(15(2)12-29)19(31)5-4-8-27-10-16(24-25-27)13-32-17(14)11-26(3)18(30)6-7-20(21,22)23/h10,14-15,17,29H,4-9,11-13H2,1-3H3/t14-,15-,17-/m1/s1
InChIKey	CMMUKIKJYLMGMW-BFYDXBDKSA-N

ChEBI Ontology

Outgoing Relation(s)
	4,4,4-trifluoro-N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylbutanamide (CHEBI:95490) is a azamacrocycle (CHEBI:52898)
	4,4,4-trifluoro-N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylbutanamide (CHEBI:95490) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-6869	LINCS