3-(2,4-dimethoxyphenyl)-1-[[(8S,9R)-6-[(2S)-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]-1-methylurea (CHEBI:96262)

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CHEBI:96262 - 3-(2,4-dimethoxyphenyl)-1-[[(8S,9R)-6-[(2S)-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]-1-methylurea

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ChEBI ID	CHEBI:96262
ChEBI Name	3-(2,4-dimethoxyphenyl)-1-[[(8S,9R)-6-[(2S)-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]-1-methylurea
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Downloads	Molfile

Formula	C25H38N6O6
Net Charge	0
Average Mass	518.615
Monoisotopic Mass	518.28528
SMILES	COc1ccc(NC(=O)N(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@@H]2C)c(OC)c1
InChI	InChI=1S/C25H38N6O6/c1-17-12-31(18(2)15-32)24(33)7-6-10-30-13-19(27-28-30)16-37-23(17)14-29(3)25(34)26-21-9-8-20(35-4)11-22(21)36-5/h8-9,11,13,17-18,23,32H,6-7,10,12,14-16H2,1-5H3,(H,26,34)/t17-,18-,23-/m0/s1
InChIKey	DZDKJIRUSJXCKT-BSRJHKFKSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-(2,4-dimethoxyphenyl)-1-[[(8S,9R)-6-[(2S)-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]-1-methylurea (CHEBI:96262) is a azamacrocycle (CHEBI:52898)
	3-(2,4-dimethoxyphenyl)-1-[[(8S,9R)-6-[(2S)-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]-1-methylurea (CHEBI:96262) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-7641	LINCS