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CHEBI:128690 - 1-[[(3R,9S,10S)-16-(benzenesulfonamido)-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-9-yl]methyl]-3-(4-fluorophenyl)-1-methylurea

ChEBI IDCHEBI:128690
ChEBI Name1-[[(3R,9S,10S)-16-(benzenesulfonamido)-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-9-yl]methyl]-3-(4-fluorophenyl)-1-methylurea
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DownloadsMolfile
FormulaC35H45FN4O7S
Net Charge0
Average Mass684.831
Monoisotopic Mass684.29930
SMILESC[C@@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1
InChIInChI=1S/C35H45FN4O7S/c1-24-21-40(25(2)23-41)34(42)31-20-29(38-48(44,45)30-11-6-5-7-12-30)17-18-32(31)47-26(3)10-8-9-19-46-33(24)22-39(4)35(43)37-28-15-13-27(36)14-16-28/h5-7,11-18,20,24-26,33,38,41H,8-10,19,21-23H2,1-4H3,(H,37,43)/t24-,25-,26+,33+/m0/s1
InChIKeyNWAOHTRJRZZISF-GMNHBYEWSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(3R,9S,10S)-16-(benzenesulfonamido)-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-9-yl]methyl]-3-(4-fluorophenyl)-1-methylurea (CHEBI:128690) is a azamacrocycle (CHEBI:52898)
1-[[(3R,9S,10S)-16-(benzenesulfonamido)-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-9-yl]methyl]-3-(4-fluorophenyl)-1-methylurea (CHEBI:128690) is a lactam (CHEBI:24995)
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