CHEBI:99998 - N-[[(3S,9S,10R)-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-methyl-2-thiophenesulfonamide

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ChEBI Name N-[[(3S,9S,10R)-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-methyl-2-thiophenesulfonamide
ChEBI ID CHEBI:99998
Stars This entity has been manually annotated by a third party.
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Formula C28H43N3O6S2
Net Charge 0
Average Mass 581.791
Monoisotopic Mass 581.25933
InChI InChI=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-/m1/s1
InChIKey ANVCKVJMNHXGBG-FYBXHKAZSA-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=CC=CS3
ChEBI Ontology
Outgoing N-[[(3S,9S,10R)-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-methyl-2-thiophenesulfonamide (CHEBI:99998) is a azamacrocycle (CHEBI:52898)
N-[[(3S,9S,10R)-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-methyl-2-thiophenesulfonamide (CHEBI:99998) is a lactam (CHEBI:24995)
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