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CHEBI:127554 - N-[(3R,9R,10S)-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]-2-thiophenesulfonamide

ChEBI IDCHEBI:127554
ChEBI NameN-[(3R,9R,10S)-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]-2-thiophenesulfonamide
Stars
DownloadsMolfile
FormulaC32H44N4O6S2
Net Charge0
Average Mass644.860
Monoisotopic Mass644.27023
SMILESC[C@@H]1CCCCO[C@@H](CN(C)Cc2ccncc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O1
InChIInChI=1S/C32H44N4O6S2/c1-23-19-36(24(2)22-37)32(38)28-18-27(34-44(39,40)31-9-7-17-43-31)10-11-29(28)42-25(3)8-5-6-16-41-30(23)21-35(4)20-26-12-14-33-15-13-26/h7,9-15,17-18,23-25,30,34,37H,5-6,8,16,19-22H2,1-4H3/t23-,24+,25+,30-/m0/s1
InChIKeyPUGQOLSXQKZMDA-RPQPUBLWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,9R,10S)-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]-2-thiophenesulfonamide (CHEBI:127554) is a azamacrocycle (CHEBI:52898)
N-[(3R,9R,10S)-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]-2-thiophenesulfonamide (CHEBI:127554) is a lactam (CHEBI:24995)
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