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CHEBI:100586 - 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide

ChEBI IDCHEBI:100586
ChEBI Name2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
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DownloadsMolfile
FormulaC29H39N3O7S
Net Charge0
Average Mass573.712
Monoisotopic Mass573.25087
SMILESCOc1ccc(S(=O)(=O)N2C[C@@H](O)COC[C@@H]3O[C@@H](CC(=O)N[C@@H]4CCN(Cc5ccccc5)C4)CC[C@H]32)cc1
InChIInChI=1S/C29H39N3O7S/c1-37-24-7-10-26(11-8-24)40(35,36)32-18-23(33)19-38-20-28-27(32)12-9-25(39-28)15-29(34)30-22-13-14-31(17-22)16-21-5-3-2-4-6-21/h2-8,10-11,22-23,25,27-28,33H,9,12-20H2,1H3,(H,30,34)/t22-,23-,25-,27-,28+/m1/s1
InChIKeyIXXIZSABFJAVRH-JGCYXCAYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide (CHEBI:100586) is a sulfonamide (CHEBI:35358)
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