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CHEBI:95397 - N-[[(3R,9S,10S)-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-methylbenzenesulfonamide

ChEBI IDCHEBI:95397
ChEBI NameN-[[(3R,9S,10S)-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-methylbenzenesulfonamide
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DownloadsMolfile
FormulaC30H45N3O6S
Net Charge0
Average Mass575.772
Monoisotopic Mass575.30291
SMILESC[C@@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccccc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1
InChIInChI=1S/C30H45N3O6S/c1-22-19-33(23(2)21-34)30(35)27-18-25(31(4)5)15-16-28(27)39-24(3)12-10-11-17-38-29(22)20-32(6)40(36,37)26-13-8-7-9-14-26/h7-9,13-16,18,22-24,29,34H,10-12,17,19-21H2,1-6H3/t22-,23-,24+,29+/m0/s1
InChIKeyGPFIDTWNGXWRJK-PHBCIFJZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(3R,9S,10S)-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-methylbenzenesulfonamide (CHEBI:95397) is a azamacrocycle (CHEBI:52898)
N-[[(3R,9S,10S)-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-methylbenzenesulfonamide (CHEBI:95397) is a lactam (CHEBI:24995)
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