2-[(2S,4aR,12aR)-8-[[(3-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-phenylethyl)acetamide (CHEBI:99975)

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CHEBI:99975 - 2-[(2S,4aR,12aR)-8-[[(3-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-phenylethyl)acetamide

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ChEBI ID	CHEBI:99975
ChEBI Name	2-[(2S,4aR,12aR)-8-[[(3-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-phenylethyl)acetamide
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Downloads	Molfile

Formula	C32H36N4O6
Net Charge	0
Average Mass	572.662
Monoisotopic Mass	572.26348
SMILES	COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)NCCc4ccccc4)O[C@H]2CO3)c1
InChI	InChI=1S/C32H36N4O6/c1-36-27-13-12-25(19-30(37)33-16-15-21-7-4-3-5-8-21)42-29(27)20-41-28-14-11-23(18-26(28)31(36)38)35-32(39)34-22-9-6-10-24(17-22)40-2/h3-11,14,17-18,25,27,29H,12-13,15-16,19-20H2,1-2H3,(H,33,37)(H2,34,35,39)/t25-,27+,29-/m0/s1
InChIKey	UEIQSFPBDLFQGU-BUAQGSAMSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2S,4aR,12aR)-8-[[(3-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-phenylethyl)acetamide (CHEBI:99975) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-11354	LINCS