CHEBI:104826 - 4,4,4-trifluoro-N-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4,4,4-trifluoro-N-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide
ChEBI ID CHEBI:104826
Stars This entity has been manually annotated by a third party.
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Formula C27H42F3N3O7S
Net Charge 0
Average Mass 609.701
Monoisotopic Mass 609.26956
InChI InChI=1S/C27H42F3N3O7S/c1-18-15-33(19(2)17-34)26(36)22-14-21(31-41(5,37)38)9-10-23(22)40-20(3)8-6-7-13-39-24(18)16-32(4)25(35)11-12-27(28,29)30/h9-10,14,18-20,24,31,34H,6-8,11-13,15-17H2,1-5H3/t18-,19-,20+,24-/m1/s1
InChIKey LBVOXJOHMPITGR-MTXNFPGFSA-N
SMILES C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F
ChEBI Ontology
Outgoing 4,4,4-trifluoro-N-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:104826) is a azamacrocycle (CHEBI:52898)
4,4,4-trifluoro-N-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:104826) is a lactam (CHEBI:24995)
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