CHEBI:126788 - N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclobutanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclobutanecarboxamide
ChEBI ID CHEBI:126788
Stars This entity has been manually annotated by a third party.
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Formula C25H36N2O5S
Net Charge 0
Average Mass 476.631
Monoisotopic Mass 476.23449
InChI InChI=1S/C25H36N2O5S/c1-17-14-27(18(2)16-28)33(30,31)24-12-11-21(19-7-4-5-8-19)13-22(24)32-23(17)15-26(3)25(29)20-9-6-10-20/h7,11-13,17-18,20,23,28H,4-6,8-10,14-16H2,1-3H3/t17-,18-,23-/m1/s1
InChIKey OORKZMYQCAZRNE-PMAPCBKXSA-N
SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@@H]1CN(C)C(=O)C4CCC4)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclobutanecarboxamide (CHEBI:126788) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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