CHEBI:101683 - 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide

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ChEBI Name 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide
ChEBI ID CHEBI:101683
Stars This entity has been manually annotated by a third party.
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Formula C22H29FN4O6S
Net Charge 0
Average Mass 496.554
Monoisotopic Mass 496.17918
InChI InChI=1S/C22H29FN4O6S/c1-26-11-22(25-14-26)34(30,31)27-10-17(28)12-32-13-20-19(27)6-5-18(33-20)8-21(29)24-9-15-3-2-4-16(23)7-15/h2-4,7,11,14,17-20,28H,5-6,8-10,12-13H2,1H3,(H,24,29)/t17-,18+,19+,20-/m1/s1
InChIKey PSOMVEOYXZFBLO-FUMNGEBKSA-N
SMILES CN1C=C(N=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4=CC(=CC=C4)F)O
ChEBI Ontology
Outgoing 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide (CHEBI:101683) is a organofluorine compound (CHEBI:37143)
Manual Xref Database
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