CHEBI:104683 - 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]-1-methyl-4-imidazolesulfonamide

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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]-1-methyl-4-imidazolesulfonamide
ChEBI ID CHEBI:104683
Stars This entity has been manually annotated by a third party.
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Formula C29H47N5O6S
Net Charge 0
Average Mass 593.781
Monoisotopic Mass 593.32471
InChI InChI=1S/C29H47N5O6S/c1-7-13-32(5)17-27-21(2)16-34(22(3)19-35)29(36)25-15-24(31-41(37,38)28-18-33(6)20-30-28)11-12-26(25)40-23(4)10-8-9-14-39-27/h11-12,15,18,20-23,27,31,35H,7-10,13-14,16-17,19H2,1-6H3/t21-,22+,23-,27-/m1/s1
InChIKey IKHNOPCXKIAMPI-QSGNWFJVSA-N
SMILES CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)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]-1-methyl-4-imidazolesulfonamide (CHEBI:104683) 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]-1-methyl-4-imidazolesulfonamide (CHEBI:104683) is a lactam (CHEBI:24995)
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