CHEBI:104598 - 4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide

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ChEBI Name 4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
ChEBI ID CHEBI:104598
Stars This entity has been manually annotated by a third party.
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Formula C33H46F3N3O5
Net Charge 0
Average Mass 621.732
Monoisotopic Mass 621.33896
InChI InChI=1S/C33H46F3N3O5/c1-23-19-39(24(2)22-40)32(42)28-18-27(37-31(41)15-16-33(34,35)36)13-14-29(28)44-25(3)10-8-9-17-43-30(23)21-38(4)20-26-11-6-5-7-12-26/h5-7,11-14,18,23-25,30,40H,8-10,15-17,19-22H2,1-4H3,(H,37,41)/t23-,24-,25+,30-/m1/s1
InChIKey OMPYFAIFRLVIFJ-ZASNTINBSA-N
SMILES C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3
ChEBI Ontology
Outgoing 4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:104598) is a azamacrocycle (CHEBI:52898)
4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:104598) is a lactam (CHEBI:24995)
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