2-[(2R,4aS,12aR)-8-[[(2-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide (CHEBI:102522)

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CHEBI:102522 - 2-[(2R,4aS,12aR)-8-[[(2-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide

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ChEBI ID	CHEBI:102522
ChEBI Name	2-[(2R,4aS,12aR)-8-[[(2-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide
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Downloads	Molfile

Formula	C30H38ClN5O6
Net Charge	0
Average Mass	600.116
Monoisotopic Mass	599.25106
SMILES	CN1C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@@H]2O[C@@H](CC(=O)NCCCN3CCOCC3)CC[C@@H]21
InChI	InChI=1S/C30H38ClN5O6/c1-35-25-9-8-21(18-28(37)32-11-4-12-36-13-15-40-16-14-36)42-27(25)19-41-26-10-7-20(17-22(26)29(35)38)33-30(39)34-24-6-3-2-5-23(24)31/h2-3,5-7,10,17,21,25,27H,4,8-9,11-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t21-,25+,27+/m1/s1
InChIKey	MRBZRZGKCPBOJB-UDZXTKBFSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2R,4aS,12aR)-8-[[(2-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide (CHEBI:102522) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-13870	LINCS