CHEBI:130930 - 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-methylpropanamide

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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$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide
ChEBI ID CHEBI:130930
Stars This entity has been manually annotated by a third party.
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Formula C23H34N2O5S
Net Charge 0
Average Mass 450.593
Monoisotopic Mass 450.21884
InChI InChI=1S/C23H34N2O5S/c1-5-23(27)24(4)14-21-16(2)13-25(17(3)15-26)31(28,29)22-11-10-19(12-20(22)30-21)18-8-6-7-9-18/h8,10-12,16-17,21,26H,5-7,9,13-15H2,1-4H3/t16-,17-,21-/m1/s1
InChIKey NEJRRDNCCIILSE-CBGDNZLLSA-N
SMILES CCC(=O)N(C)C[C@@H]1[C@@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CCCC3)[C@H](C)CO)C
ChEBI Ontology
Outgoing N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide (CHEBI:130930) is a aromatic ether (CHEBI:35618)
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