N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide (CHEBI:117281)

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CHEBI:117281 - N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide

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ChEBI ID	CHEBI:117281
ChEBI Name	N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
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Downloads	Molfile

Formula	C32H34N2O5
Net Charge	0
Average Mass	526.633
Monoisotopic Mass	526.24677
SMILES	O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1
InChI	InChI=1S/C32H34N2O5/c35-19-29-32-27(26-15-24(12-13-28(26)39-32)34-31(37)14-20-6-7-20)16-25(38-29)17-30(36)33-18-21-8-10-23(11-9-21)22-4-2-1-3-5-22/h1-5,8-13,15,20,25,27,29,32,35H,6-7,14,16-19H2,(H,33,36)(H,34,37)/t25-,27-,29+,32+/m1/s1
InChIKey	NKIFYSADZLZERH-TUAUZHGTSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide (CHEBI:117281) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-28730	LINCS