CHEBI:104652 - N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

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ChEBI Name N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
ChEBI ID CHEBI:104652
Stars This entity has been manually annotated by a third party.
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Formula C31H47N3O6S
Net Charge 0
Average Mass 589.789
Monoisotopic Mass 589.31856
InChI InChI=1S/C31H47N3O6S/c1-6-17-33(5)21-30-23(2)20-34(24(3)22-35)31(36)28-19-26(32-41(37,38)27-13-8-7-9-14-27)15-16-29(28)40-25(4)12-10-11-18-39-30/h7-9,13-16,19,23-25,30,32,35H,6,10-12,17-18,20-22H2,1-5H3/t23-,24+,25-,30-/m1/s1
InChIKey ZAMGSALMCFAIEX-FJRSXGRASA-N
SMILES CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O[C@@H](CCCCO1)C)[C@@H](C)CO)C
ChEBI Ontology
Outgoing N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide (CHEBI:104652) is a azamacrocycle (CHEBI:52898)
N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide (CHEBI:104652) is a lactam (CHEBI:24995)
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