CHEBI:106849 - N-[[(3S,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,3,5-trimethyl-4-isoxazolesulfonamide

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ChEBI Name N-[[(3S,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,3,5-trimethyl-4-isoxazolesulfonamide
ChEBI ID CHEBI:106849
Stars This entity has been manually annotated by a third party.
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Formula C29H46N4O7S
Net Charge 0
Average Mass 594.765
Monoisotopic Mass 594.30872
InChI InChI=1S/C29H46N4O7S/c1-19-16-33(20(2)18-34)29(35)25-15-24(31(6)7)12-13-26(25)39-21(3)11-9-10-14-38-27(19)17-32(8)41(36,37)28-22(4)30-40-23(28)5/h12-13,15,19-21,27,34H,9-11,14,16-18H2,1-8H3/t19-,20+,21-,27-/m0/s1
InChIKey PQVSIMSGGSSCRI-WFQVPWNOSA-N
SMILES C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=C(ON=C3C)C
ChEBI Ontology
Outgoing N-[[(3S,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,3,5-trimethyl-4-isoxazolesulfonamide (CHEBI:106849) is a azamacrocycle (CHEBI:52898)
N-[[(3S,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,3,5-trimethyl-4-isoxazolesulfonamide (CHEBI:106849) is a lactam (CHEBI:24995)
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