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CHEBI:104853 - N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-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-methylmethanesulfonamide

ChEBI IDCHEBI:104853
ChEBI NameN-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-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-methylmethanesulfonamide
Stars
DownloadsMolfile
FormulaC25H43N3O6S
Net Charge0
Average Mass513.701
Monoisotopic Mass513.28726
SMILESC[C@@H]1CCCCO[C@H](CN(C)S(C)(=O)=O)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1
InChIInChI=1S/C25H43N3O6S/c1-18-15-28(19(2)17-29)25(30)22-14-21(26(4)5)11-12-23(22)34-20(3)10-8-9-13-33-24(18)16-27(6)35(7,31)32/h11-12,14,18-20,24,29H,8-10,13,15-17H2,1-7H3/t18-,19-,20+,24+/m0/s1
InChIKeyORDOAKKGIRZCMJ-PWSZPPJVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-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-methylmethanesulfonamide (CHEBI:104853) is a azamacrocycle (CHEBI:52898)
N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-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-methylmethanesulfonamide (CHEBI:104853) is a lactam (CHEBI:24995)
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