CHEBI:104786 - N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide

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ChEBI Name N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide
ChEBI ID CHEBI:104786
Stars This entity has been manually annotated by a third party.
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Formula C29H43N3O7S
Net Charge 0
Average Mass 577.735
Monoisotopic Mass 577.28217
InChI InChI=1S/C29H43N3O7S/c1-20-18-32(21(2)19-33)29(34)26-16-23(31-40(35,36)25-12-10-24(37-5)11-13-25)9-14-27(26)39-22(3)8-6-7-15-38-28(20)17-30-4/h9-14,16,20-22,28,30-31,33H,6-8,15,17-19H2,1-5H3/t20-,21+,22-,28+/m0/s1
InChIKey MPJVZFHLUPPQBG-KJZXJLKKSA-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)OC)[C@H](C)CO)C)CNC
ChEBI Ontology
Outgoing N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide (CHEBI:104786) is a azamacrocycle (CHEBI:52898)
N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide (CHEBI:104786) is a lactam (CHEBI:24995)
Manual Xref Database
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