2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide (CHEBI:122978)

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CHEBI:122978 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide

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ChEBI ID	CHEBI:122978
ChEBI Name	2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide
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Formula	C35H35N3O6
Net Charge	0
Average Mass	593.680
Monoisotopic Mass	593.25259
SMILES	COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)NCc4ccc(-c5ccccc5)cc4)O[C@@H](CO)[C@@H]2O3)cc1
InChI	InChI=1S/C35H35N3O6/c1-42-27-14-11-25(12-15-27)37-35(41)38-26-13-16-31-29(17-26)30-18-28(43-32(21-39)34(30)44-31)19-33(40)36-20-22-7-9-24(10-8-22)23-5-3-2-4-6-23/h2-17,28,30,32,34,39H,18-21H2,1H3,(H,36,40)(H2,37,38,41)/t28-,30+,32+,34-/m1/s1
InChIKey	TZDANBXLWORGOS-WXLSAOMQSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide (CHEBI:122978) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-34421	LINCS