2-[(2R,4aR,12aS)-8-[[(3,5-dimethylanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester (CHEBI:100325)

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CHEBI:100325 - 2-[(2R,4aR,12aS)-8-[[(3,5-dimethylanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

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ChEBI ID	CHEBI:100325
ChEBI Name	2-[(2R,4aR,12aS)-8-[[(3,5-dimethylanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
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Downloads	Molfile

Formula	C26H31N3O6
Net Charge	0
Average Mass	481.549
Monoisotopic Mass	481.22129
SMILES	COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1
InChI	InChI=1S/C26H31N3O6/c1-15-9-16(2)11-18(10-15)28-26(32)27-17-5-8-22-20(12-17)25(31)29(3)21-7-6-19(13-24(30)33-4)35-23(21)14-34-22/h5,8-12,19,21,23H,6-7,13-14H2,1-4H3,(H2,27,28,32)/t19-,21-,23-/m1/s1
InChIKey	ANPNCKARMDTJMY-KJXAQDMKSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2R,4aR,12aS)-8-[[(3,5-dimethylanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester (CHEBI:100325) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-11700	LINCS