2-[(2S,4aS,12aS)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide (CHEBI:101030)

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CHEBI:101030 - 2-[(2S,4aS,12aS)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide

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ChEBI ID	CHEBI:101030
ChEBI Name	2-[(2S,4aS,12aS)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
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Downloads	Molfile

Formula	C30H38ClN5O5
Net Charge	0
Average Mass	584.117
Monoisotopic Mass	583.25615
SMILES	CN1C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2OC[C@H]2O[C@H](CC(=O)NCCN3CCCCC3)CC[C@@H]21
InChI	InChI=1S/C30H38ClN5O5/c1-35-25-11-10-23(18-28(37)32-13-16-36-14-3-2-4-15-36)41-27(25)19-40-26-12-9-22(17-24(26)29(35)38)34-30(39)33-21-7-5-20(31)6-8-21/h5-9,12,17,23,25,27H,2-4,10-11,13-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t23-,25-,27+/m0/s1
InChIKey	XIGYLWQKLZSYNZ-SCTDOJESSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2S,4aS,12aS)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide (CHEBI:101030) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-12403	LINCS