CHEBI:126734 - N-[[(4R,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]-N-methylbenzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
ChEBI ID CHEBI:126734
Stars This entity has been manually annotated by a third party.
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Formula C27H34N2O5S
Net Charge 0
Average Mass 498.636
Monoisotopic Mass 498.21884
InChI InChI=1S/C27H34N2O5S/c1-19-16-29(20(2)18-30)35(32,33)26-14-13-23(21-9-7-8-10-21)15-24(26)34-25(19)17-28(3)27(31)22-11-5-4-6-12-22/h4-6,9,11-15,19-20,25,30H,7-8,10,16-18H2,1-3H3/t19-,20+,25+/m1/s1
InChIKey UFCPYRWCPDLGEX-RNHFSVANSA-N
SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CN(C)C(=O)C4=CC=CC=C4)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide (CHEBI:126734) is a benzamides (CHEBI:22702)
Manual Xref Database
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