4-(dimethylamino)-N-[[(8R,9R)-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:113418)

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CHEBI:113418 - 4-(dimethylamino)-N-[[(8R,9R)-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:113418
ChEBI Name	4-(dimethylamino)-N-[[(8R,9R)-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	C22H40N6O4
Net Charge	0
Average Mass	452.600
Monoisotopic Mass	452.31110
SMILES	C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)CCCN(C)C
InChI	InChI=1S/C22H40N6O4/c1-17-12-28(18(2)15-29)22(31)9-7-11-27-13-19(23-24-27)16-32-20(17)14-26(5)21(30)8-6-10-25(3)4/h13,17-18,20,29H,6-12,14-16H2,1-5H3/t17-,18-,20+/m1/s1
InChIKey	FFUZSDQFZDZTHE-GGPKGHCWSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-(dimethylamino)-N-[[(8R,9R)-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:113418) is a azamacrocycle (CHEBI:52898)
	4-(dimethylamino)-N-[[(8R,9R)-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:113418) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-24828	LINCS