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CHEBI:126989 - N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-thiophenesulfonamide

ChEBI IDCHEBI:126989
ChEBI NameN-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-thiophenesulfonamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC33H45N3O8S3
Net Charge0
Average Mass707.937
Monoisotopic Mass707.23688
SMILESCc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C33H45N3O8S3/c1-23-11-14-28(15-12-23)47(41,42)35(5)21-31-24(2)20-36(25(3)22-37)33(38)29-19-27(34-46(39,40)32-10-8-18-45-32)13-16-30(29)44-26(4)9-6-7-17-43-31/h8,10-16,18-19,24-26,31,34,37H,6-7,9,17,20-22H2,1-5H3/t24-,25+,26+,31-/m0/s1
InChIKeyHFWABMRXOKEYCK-PXFJVXAFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-thiophenesulfonamide (CHEBI:126989) is a azamacrocycle (CHEBI:52898)
N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-thiophenesulfonamide (CHEBI:126989) is a lactam (CHEBI:24995)
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