chempirical

Dapt (chemical)

C23H26F2N2O4CAS 208255-80-5432.47 g/mol

Open in Covalent MOL file
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. Search the SDS library

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 (αS)-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-α-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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