CHEBI:125878 - (2S)-2-[(4R,5R)-8-(1-cyclohexenyl)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI Name (2S)-2-[(4R,5R)-8-(1-cyclohexenyl)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
ChEBI ID CHEBI:125878
Stars This entity has been manually annotated by a third party.
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Formula C27H42N2O4S
Net Charge 0
Average Mass 490.700
Monoisotopic Mass 490.28653
InChI InChI=1S/C27H42N2O4S/c1-20-16-29(21(2)19-30)34(31,32)27-14-13-24(23-11-5-4-6-12-23)15-25(27)33-26(20)18-28(3)17-22-9-7-8-10-22/h11,13-15,20-22,26,30H,4-10,12,16-19H2,1-3H3/t20-,21+,26+/m1/s1
InChIKey HXWMLPVQOJFMRY-SWYRRKHMSA-N
SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@H]1CN(C)CC4CCCC4)[C@@H](C)CO
ChEBI Ontology
Outgoing (2S)-2-[(4R,5R)-8-(1-cyclohexenyl)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:125878) is a aromatic ether (CHEBI:35618)
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