N-[(2R,4aS,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide (CHEBI:102034)

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CHEBI:102034 - N-[(2R,4aS,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide

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ChEBI ID	CHEBI:102034
ChEBI Name	N-[(2R,4aS,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide
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Formula	C32H30N4O7
Net Charge	0
Average Mass	582.613
Monoisotopic Mass	582.21145
SMILES	CN1C(=O)c2cc(NC(=O)c3ccc(C#N)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)CC[C@@H]21
InChI	InChI=1S/C32H30N4O7/c1-36-25-9-8-23(14-30(37)34-16-20-4-10-27-28(12-20)42-18-41-27)43-29(25)17-40-26-11-7-22(13-24(26)32(36)39)35-31(38)21-5-2-19(15-33)3-6-21/h2-7,10-13,23,25,29H,8-9,14,16-18H2,1H3,(H,34,37)(H,35,38)/t23-,25+,29-/m1/s1
InChIKey	XHIYWAJDGXOPCH-OBZNHSRCSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,4aS,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide (CHEBI:102034) is a benzodioxoles (CHEBI:38298)

Manual Xrefs	Databases
LSM-13394	LINCS