CHEBI:126661 - N-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-cyclopropyl-N-methylacetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-cyclopropyl-N-methylacetamide
ChEBI ID CHEBI:126661
Stars This entity has been manually annotated by a third party.
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Formula C26H38N2O5S
Net Charge 0
Average Mass 490.657
Monoisotopic Mass 490.25014
InChI InChI=1S/C26H38N2O5S/c1-18-15-28(19(2)17-29)34(31,32)25-12-11-22(21-7-5-4-6-8-21)14-23(25)33-24(18)16-27(3)26(30)13-20-9-10-20/h7,11-12,14,18-20,24,29H,4-6,8-10,13,15-17H2,1-3H3/t18-,19+,24-/m1/s1
InChIKey NXVHKURFMFTURR-YDIMBITNSA-N
SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@@H]1CN(C)C(=O)CC4CC4)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-cyclopropyl-N-methylacetamide (CHEBI:126661) is a aromatic ether (CHEBI:35618)
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