chempirical

N-[(1,1-Dimethylethoxy)carbonyl]-O-(phenylmethyl)-L-tyrosine

C21H25NO5CAS 2130-96-3371.43 g/mol

Open in Covalent MOL file
OONHOOHO
Carboxylic acidEther

Properties

Molecular formula
C21H25NO5
Molar mass
371.43 g/mol
Exact mass
371.1733 Da
Melting point
108–109 °C
logP
3.99Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
2130-96-3
SMILES
CC(C)(C)OC(O)=N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIKey
ZAVSPTOJKOFMTA-SFHVURJKSA-N
InChI
InChI=1S/C21H25NO5/c1-21(2,3)27-20(25)22-18(19(23)24)13-15-9-11-17(12-10-15)26-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-
  • Alanine, 3-[p-(benzyloxy)phenyl]-N-carboxy-, N-tert-butyl ester, L-
  • Alanine, 3-[p-(benzyloxy)phenyl]-N-carboxy-, N-tert-butyl ester
  • L-Alanine, 3-[p-(benzyloxy)phenyl]-N-carboxy-, N-tert-butyl ester
  • N-(tert-Butyloxycarbonyl)-O-benzyl-L-tyrosine
  • O-Benzyl-N-tert-butoxycarbonyl-L-tyrosine
  • N-(tert-Butoxycarbonyl)-O-benzyl-L-tyrosine
  • (tert-Butoxycarbonyl)-O-benzyltyrosine
  • N-(tert-Butoxycarbonyl)-O4-benzyl-L-tyrosine
  • N-(tert-Butoxycarbonyl)-O-benzyltyrosine
  • NSC 164044
  • (2S)-3-[4-(Benzyloxy)phenyl]-2-[(tert-butoxycarbonyl)amino]propanoic acid
  • (S)-3-(4-Benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propionic acid
  • (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid
  • (S)-3-(4-(Benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid
  • (2S)-3-(4-Benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoic acid

Work with N-[(1,1-Dimethylethoxy)carbonyl]-O-(phenylmethyl)-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-tert-Butoxycarbonyl-D-phenylalanine18942-49-981 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-ethyl-L-tyrosine76757-91-075 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-ethyl-D-tyrosine76757-92-175 % similar O-[(2,6-Dichlorophenyl)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-tyrosine40298-71-375 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-phenylalanyl-L-phenylalanine13122-90-274 % similar N-tert-Butoxycarbonyl-O-benzylserine23680-31-172 % similar 4-Benzoyl-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine104504-43-071 % similar L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-, 2,5-dioxo-1-pyrrolidinyl ester34805-19-170 % similar

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

Same formula

O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-tyrosine5545-54-0

Elsewhere

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