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CHEBI:125851 - N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-thiophenesulfonamide

ChEBI IDCHEBI:125851
ChEBI NameN-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-thiophenesulfonamide
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DownloadsMolfile
FormulaC33H45N3O6S2
Net Charge0
Average Mass643.872
Monoisotopic Mass643.27498
SMILESC[C@@H]1CCCCO[C@@H](CN(C)Cc2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O1
InChIInChI=1S/C33H45N3O6S2/c1-24-20-36(25(2)23-37)33(38)29-19-28(34-44(39,40)32-14-10-18-43-32)15-16-30(29)42-26(3)11-8-9-17-41-31(24)22-35(4)21-27-12-6-5-7-13-27/h5-7,10,12-16,18-19,24-26,31,34,37H,8-9,11,17,20-23H2,1-4H3/t24-,25+,26+,31-/m0/s1
InChIKeyNLNOREAGNASAOL-PXFJVXAFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-thiophenesulfonamide (CHEBI:125851) is a azamacrocycle (CHEBI:52898)
N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-thiophenesulfonamide (CHEBI:125851) is a lactam (CHEBI:24995)
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