3-(2,4-dimethoxyphenyl)-1-[[(8R,9S)-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:112457)

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CHEBI:112457 - 3-(2,4-dimethoxyphenyl)-1-[[(8R,9S)-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:112457
ChEBI Name	3-(2,4-dimethoxyphenyl)-1-[[(8R,9S)-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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Downloads	Molfile

Formula	C25H38N6O6
Net Charge	0
Average Mass	518.615
Monoisotopic Mass	518.28528
SMILES	COc1ccc(NC(=O)N(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@H](C)CO)C[C@H]2C)c(OC)c1
InChI	InChI=1S/C25H38N6O6/c1-17-13-30(18(2)15-32)24(33)7-6-10-31-19(12-26-28-31)16-37-23(17)14-29(3)25(34)27-21-9-8-20(35-4)11-22(21)36-5/h8-9,11-12,17-18,23,32H,6-7,10,13-16H2,1-5H3,(H,27,34)/t17-,18-,23-/m1/s1
InChIKey	BYLZCNPQXPGOCE-PMAPCBKXSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-(2,4-dimethoxyphenyl)-1-[[(8R,9S)-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:112457) is a azamacrocycle (CHEBI:52898)
	3-(2,4-dimethoxyphenyl)-1-[[(8R,9S)-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:112457) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-23869	LINCS