CHEBI:106862 - N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide

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ChEBI Name N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
ChEBI ID CHEBI:106862
Stars This entity has been manually annotated by a third party.
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Formula C29H44N4O6S
Net Charge 0
Average Mass 576.750
Monoisotopic Mass 576.29816
InChI InChI=1S/C29H44N4O6S/c1-21-17-33(22(2)20-34)29(35)26-16-25(31-40(5,36)37)9-10-27(26)39-23(3)8-6-7-15-38-28(21)19-32(4)18-24-11-13-30-14-12-24/h9-14,16,21-23,28,31,34H,6-8,15,17-20H2,1-5H3/t21-,22-,23-,28+/m1/s1
InChIKey GAZXHMFIMHCKKU-IZXSZHORSA-N
SMILES C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3
ChEBI Ontology
Outgoing N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide (CHEBI:106862) is a azamacrocycle (CHEBI:52898)
N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide (CHEBI:106862) is a lactam (CHEBI:24995)
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