CHEBI:106877 - N-[(3S,9R,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-methylbenzenesulfonamide

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ChEBI Name N-[(3S,9R,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-methylbenzenesulfonamide
ChEBI ID CHEBI:106877
Stars This entity has been manually annotated by a third party.
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Formula C29H43N3O6S
Net Charge 0
Average Mass 561.735
Monoisotopic Mass 561.28726
InChI InChI=1S/C29H43N3O6S/c1-20-9-12-25(13-10-20)39(35,36)31-24-11-14-27-26(16-24)29(34)32(22(3)19-33)18-21(2)28(17-30-5)37-15-7-6-8-23(4)38-27/h9-14,16,21-23,28,30-31,33H,6-8,15,17-19H2,1-5H3/t21-,22+,23-,28-/m0/s1
InChIKey SKZBTEBCBLPBIZ-KYALDGGBSA-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)CNC
ChEBI Ontology
Outgoing N-[(3S,9R,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-methylbenzenesulfonamide (CHEBI:106877) is a azamacrocycle (CHEBI:52898)
N-[(3S,9R,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-methylbenzenesulfonamide (CHEBI:106877) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-18232 LINCS
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