(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96453)

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CHEBI:96453 - (8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

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ChEBI ID	CHEBI:96453
ChEBI Name	(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
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Downloads	Molfile

Formula	C24H37N5O3
Net Charge	0
Average Mass	443.592
Monoisotopic Mass	443.28964
SMILES	Cc1cccc(CN(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@@H]2C)c1
InChI	InChI=1S/C24H37N5O3/c1-18-7-5-8-21(11-18)13-27(4)15-23-19(2)12-29(20(3)16-30)24(31)9-6-10-28-14-22(17-32-23)25-26-28/h5,7-8,11,14,19-20,23,30H,6,9-10,12-13,15-17H2,1-4H3/t19-,20+,23+/m0/s1
InChIKey	MEJUTVOAQGGYHA-MIZPHKNDSA-N

ChEBI Ontology

Outgoing Relation(s)
	(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96453) is a azamacrocycle (CHEBI:52898)
	(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96453) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-7832	LINCS