3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea (CHEBI:112649)

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CHEBI:112649 - 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

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ChEBI ID	CHEBI:112649
ChEBI Name	3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-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)CCCn2nncc2CO[C@H]1CN(C)C(=O)Nc1ccc2c(c1)OCCO2
InChI	InChI=1S/C25H36N6O6/c1-17-13-30(18(2)15-32)24(33)5-4-8-31-20(12-26-28-31)16-37-23(17)14-29(3)25(34)27-19-6-7-21-22(11-19)36-10-9-35-21/h6-7,11-12,17-18,23,32H,4-5,8-10,13-16H2,1-3H3,(H,27,34)/t17-,18-,23+/m1/s1
InChIKey	NYFKVVDOCVTYTM-PNCHPQGNSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea (CHEBI:112649) is a azamacrocycle (CHEBI:52898)
	3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea (CHEBI:112649) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-24059	LINCS