3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(8R,9S)-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:96050)

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CHEBI:96050 - 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(8R,9S)-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:96050
ChEBI Name	3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(8R,9S)-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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Formula	C25H36N6O6
Net Charge	0
Average Mass	516.599
Monoisotopic Mass	516.26963
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)OCCO2
InChI	InChI=1S/C25H36N6O6/c1-17-12-31(18(2)15-32)24(33)5-4-8-30-13-20(27-28-30)16-37-23(17)14-29(3)25(34)26-19-6-7-21-22(11-19)36-10-9-35-21/h6-7,11,13,17-18,23,32H,4-5,8-10,12,14-16H2,1-3H3,(H,26,34)/t17-,18+,23-/m1/s1
InChIKey	BKRQCUCZQROLSQ-IEGUWTFLSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(8R,9S)-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:96050) is a azamacrocycle (CHEBI:52898)
	3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(8R,9S)-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:96050) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-7429	LINCS