CHEBI:101237 - 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

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ChEBI Name 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
ChEBI ID CHEBI:101237
Stars This entity has been manually annotated by a third party.
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Formula C26H32N2O8S
Net Charge 0
Average Mass 532.608
Monoisotopic Mass 532.18794
InChI InChI=1S/C26H32N2O8S/c1-17-2-6-21(7-3-17)37(31,32)28-13-19(29)14-33-15-25-22(28)8-5-20(36-25)11-26(30)27-12-18-4-9-23-24(10-18)35-16-34-23/h2-4,6-7,9-10,19-20,22,25,29H,5,8,11-16H2,1H3,(H,27,30)/t19-,20+,22-,25+/m1/s1
InChIKey HNAQDDNENYJUKU-GFMPLVLUSA-N
SMILES CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCC4=CC5=C(C=C4)OCO5)O
ChEBI Ontology
Outgoing 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (CHEBI:101237) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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