CHEBI:103587 - N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-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-16-yl]-4-methoxybenzenesulfonamide

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ChEBI Name N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-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-16-yl]-4-methoxybenzenesulfonamide
ChEBI ID CHEBI:103587
Stars This entity has been manually annotated by a third party.
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Formula C30H45N3O7S
Net Charge 0
Average Mass 591.761
Monoisotopic Mass 591.29782
InChI InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22+,23-,29-/m1/s1
InChIKey IVNRRFOIDKKMKL-CPVANYHMSA-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)CN(C)C
ChEBI Ontology
Outgoing N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-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-16-yl]-4-methoxybenzenesulfonamide (CHEBI:103587) is a azamacrocycle (CHEBI:52898)
N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-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-16-yl]-4-methoxybenzenesulfonamide (CHEBI:103587) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-14931 LINCS
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