Dapt (chemical)

C23H26F2N2O4CAS 208255-80-5432.47 g/mol

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NHOFFOHNOO
Aryl halideEster

Properties

Molecular formula
C23H26F2N2O4
Molar mass
432.47 g/mol
Exact mass
432.1861 Da
logP
4.89Crippen estimate
Polar surface area
91.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
7
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
208255-80-5
SMILES
C[C@H](N=C(O)Cc1cc(F)cc(F)c1)C(O)=N[C@H](C(=O)OC(C)(C)C)c1ccccc1
InChIKey
DWJXYEABWRJFSP-XOBRGWDASA-N
InChI
InChI=1S/C23H26F2N2O4/c1-14(26-19(28)12-15-10-17(24)13-18(25)11-15)21(29)27-20(16-8-6-5-7-9-16)22(30)31-23(2,3)4/h5-11,13-14,20H,12H2,1-4H3,(H,26,28)(H,27,29)/t14-,20-/m0/s1

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Names and synonyms

9 names
  • Glycine, N-[2-(3,5-difluorophenyl)acetyl]-L-alanyl-2-phenyl-, 1,1-dimethylethyl ester, (2S)-
  • Glycine, N-[(3,5-difluorophenyl)acetyl]-L-alanyl-2-phenyl-, 1,1-dimethylethyl ester, (2S)-
  • DAPT (enzyme inhibitor)
  • DAPT
  • γ-Secretase inhibitor IX
  • GSI-IX
  • N-[N-(3,5-Difluorophenacetyl-L-alanyl)]-S-phenylglycine t-butyl ester
  • N-[N-(3,5-Difluorophenacetyl)-L-alanyl]-S-phenylglycine tert-butyl ester
  • LY 374973

Work with Dapt (chemical)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-[(1,1-Dimethylethoxy)carbonyl]-3,5-difluoro-L-phenylalanine205445-52-940 % similar N-((1,1-Dimethylethoxy)carbonyl)-3-fluoro-L-phenylalanine114873-01-738 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-fluoro-D-phenylalanine114873-11-938 % similar β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-fluorobenzenepropanoic acid284493-59-038 % similar β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenepropanoic acid14676-01-838 % similar (alphaS)-N-((1S)-2-(((7S)-6,7-Dihydro-5-methyl-6-oxo-5H-dibenz(b,d)azepin-7-yl)amino)-1-methyl-2-oxoethyl)-3,5-difluoro-alpha-hydroxybenzeneacetamide209984-57-637 % similar (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-fluorobenzenebutanoic acid270596-51-537 % similar Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-γ-phenyl-, (S)-190190-50-237 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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