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CHEBI:106732 - N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-thiophenesulfonamide

ChEBI IDCHEBI:106732
ChEBI NameN-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-thiophenesulfonamide
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DownloadsMolfile
FormulaC28H43N3O6S2
Net Charge0
Average Mass581.801
Monoisotopic Mass581.25933
SMILESC[C@@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2cccs2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1
InChIInChI=1S/C28H43N3O6S2/c1-20-17-31(21(2)19-32)28(33)24-16-23(29(4)5)12-13-25(24)37-22(3)10-7-8-14-36-26(20)18-30(6)39(34,35)27-11-9-15-38-27/h9,11-13,15-16,20-22,26,32H,7-8,10,14,17-19H2,1-6H3/t20-,21+,22+,26-/m0/s1
InChIKeyANVCKVJMNHXGBG-BOCITWAFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-thiophenesulfonamide (CHEBI:106732) is a azamacrocycle (CHEBI:52898)
N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-thiophenesulfonamide (CHEBI:106732) is a lactam (CHEBI:24995)
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