CHEBI:106886 - N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide

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ChEBI Name N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
ChEBI ID CHEBI:106886
Stars This entity has been manually annotated by a third party.
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Formula C30H45N3O6S
Net Charge 0
Average Mass 575.762
Monoisotopic Mass 575.30291
InChI InChI=1S/C30H45N3O6S/c1-21-10-13-26(14-11-21)40(36,37)31-25-12-15-28-27(17-25)30(35)33(23(3)20-34)18-22(2)29(19-32(5)6)38-16-8-7-9-24(4)39-28/h10-15,17,22-24,29,31,34H,7-9,16,18-20H2,1-6H3/t22-,23+,24-,29+/m0/s1
InChIKey PRCUBQSECBZBSK-HNFJUSDZSA-N
SMILES C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)[C@H](C)CO)C)CN(C)C
ChEBI Ontology
Outgoing N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide (CHEBI:106886) is a azamacrocycle (CHEBI:52898)
N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide (CHEBI:106886) is a lactam (CHEBI:24995)
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