CHEBI:127350 - (2S)-2-[(4R,5R)-5-[[cyclopentylmethyl(methyl)amino]methyl]-8-[3-(dimethylamino)prop-1-ynyl]-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)-5-[[cyclopentylmethyl(methyl)amino]methyl]-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
ChEBI ID CHEBI:127350
Stars This entity has been manually annotated by a third party.
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Formula C26H41N3O4S
Net Charge 0
Average Mass 491.689
Monoisotopic Mass 491.28178
InChI InChI=1S/C26H41N3O4S/c1-20-16-29(21(2)19-30)34(31,32)26-13-12-22(11-8-14-27(3)4)15-24(26)33-25(20)18-28(5)17-23-9-6-7-10-23/h12-13,15,20-21,23,25,30H,6-7,9-10,14,16-19H2,1-5H3/t20-,21+,25+/m1/s1
InChIKey DMEPAZNFKDKADQ-CZSZKKDXSA-N
SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCN(C)C)O[C@H]1CN(C)CC3CCCC3)[C@@H](C)CO
ChEBI Ontology
Outgoing (2S)-2-[(4R,5R)-5-[[cyclopentylmethyl(methyl)amino]methyl]-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:127350) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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