2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide (CHEBI:99639)

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CHEBI:99639 - 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide

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ChEBI ID	CHEBI:99639
ChEBI Name	2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
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Downloads	Molfile

Formula	C30H34N2O6S
Net Charge	0
Average Mass	550.677
Monoisotopic Mass	550.21376
SMILES	Cc1cccc(S(=O)(=O)N2C[C@@H](O)COC[C@@H]3O[C@H](CC(=O)Nc4ccc(-c5ccccc5)cc4)CC[C@H]32)c1
InChI	InChI=1S/C30H34N2O6S/c1-21-6-5-9-27(16-21)39(35,36)32-18-25(33)19-37-20-29-28(32)15-14-26(38-29)17-30(34)31-24-12-10-23(11-13-24)22-7-3-2-4-8-22/h2-13,16,25-26,28-29,33H,14-15,17-20H2,1H3,(H,31,34)/t25-,26+,28-,29+/m1/s1
InChIKey	LOPBZILAZMWERO-GEEWNISJSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide (CHEBI:99639) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-11018	LINCS