Terminology Service for NFDI4Health
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2-(dimethylamino)-N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide

Go to external page http://purl.obolibrary.org/obo/CHEBI_114042

Term info

Label

2-(dimethylamino)-N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide

database cross reference
Subsets

2_STAR

charge

0

formula

C24H37N3O5S

has obo namespace

chebi_ontology

id

CHEBI:114042

inchi

InChI=1S/C24H37N3O5S/c1-7-8-9-10-20-11-12-23-21(13-20)32-22(15-26(6)24(29)16-25(4)5)18(2)14-27(19(3)17-28)33(23,30)31/h11-13,18-19,22,28H,7-8,14-17H2,1-6H3/t18-,19-,22+/m0/s1

inchikey

BYBGYSIHVXXZCT-CNNODRBYSA-N

mass

479.635

monoisotopicmass

479.24539

smiles

CCCC#CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@@H]([C@H](O2)CN(C)C(=O)CN(C)C)C)[C@@H](C)CO