CHEBI:130459 - N-[[(4S,5R)-8-(1-cyclopentenyl)-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

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ChEBI Name N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-cyclopropyl-N-methylacetamide
ChEBI ID CHEBI:130459
Stars This entity has been manually annotated by a third party.
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Formula C25H36N2O5S
Net Charge 0
Average Mass 476.631
Monoisotopic Mass 476.23449
InChI InChI=1S/C25H36N2O5S/c1-17-14-27(18(2)16-28)33(30,31)24-11-10-21(20-6-4-5-7-20)13-22(24)32-23(17)15-26(3)25(29)12-19-8-9-19/h6,10-11,13,17-19,23,28H,4-5,7-9,12,14-16H2,1-3H3/t17-,18-,23-/m0/s1
InChIKey KQHBUOPQWHUOND-BSRJHKFKSA-N
SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CN(C)C(=O)CC4CC4)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-cyclopropyl-N-methylacetamide (CHEBI:130459) is a aromatic ether (CHEBI:35618)
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