chempirical

O-[[(2-Bromophenyl)methoxy]carbonyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-tyrosine

C22H24BrNO7CAS 47689-67-8494.34 g/mol

Open in Covalent MOL file
OONHOOOBrOHO
Aryl halideCarbonateCarboxylic acid

Properties

Molecular formula
C22H24BrNO7
Molar mass
494.34 g/mol
Exact mass
493.0736 Da
logP
4.89Crippen estimate
Polar surface area
114.7 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
47689-67-8
SMILES
CC(C)(C)OC(O)=N[C@@H](Cc1ccc(OC(=O)OCc2ccccc2Br)cc1)C(=O)O
InChIKey
UYWMYJQSTUVRHR-SFHVURJKSA-N
InChI
InChI=1S/C22H24BrNO7/c1-22(2,3)31-20(27)24-18(19(25)26)12-14-8-10-16(11-9-14)30-21(28)29-13-15-6-4-5-7-17(15)23/h4-11,18H,12-13H2,1-3H3,(H,24,27)(H,25,26)/t18-/m0/s1

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Names and synonyms

3 names
  • L-Tyrosine, O-[[(2-bromophenyl)methoxy]carbonyl]-N-[(1,1-dimethylethoxy)carbonyl]-
  • L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, (2-bromophenyl)methyl carbonate (ester)
  • N-(tert-Butoxycarbonyl)-O-(2-bromobenzyloxycarbonyl)-L-tyrosine

Work with O-[[(2-Bromophenyl)methoxy]carbonyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-tyrosine

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]-O-(phenylmethyl)-L-tyrosine2130-96-363 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-962 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-ethyl-L-tyrosine76757-91-058 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-ethyl-D-tyrosine76757-92-158 % similar Boc-L-tyrosine3978-80-158 % similar 4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine131724-45-358 % similar 4-Benzoyl-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine104504-43-058 % similar O-[(2,6-Dichlorophenyl)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-tyrosine40298-71-357 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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