CHEBI:127445 - N-[[(4S,5R)-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]-N-methylcyclobutanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclobutanecarboxamide
ChEBI ID CHEBI:127445
Stars This entity has been manually annotated by a third party.
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Formula C26H38N2O5S
Net Charge 0
Average Mass 490.657
Monoisotopic Mass 490.25014
InChI InChI=1S/C26H38N2O5S/c1-18-15-28(19(2)17-29)34(31,32)25-13-12-22(20-8-5-4-6-9-20)14-23(25)33-24(18)16-27(3)26(30)21-10-7-11-21/h8,12-14,18-19,21,24,29H,4-7,9-11,15-17H2,1-3H3/t18-,19-,24-/m0/s1
InChIKey XHAFUOMMLFRIKJ-JXQFQVJHSA-N
SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@H]1CN(C)C(=O)C4CCC4)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclobutanecarboxamide (CHEBI:127445) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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