chempirical

N-(tert-Butoxycarbonyl)-L-phenylalanine P-nitrophenyl ester

C20H22N2O6CAS 7535-56-0386.40 g/mol

Open in Covalent MOL file
OOHNOON+OO−
EsterNitro

Properties

Molecular formula
C20H22N2O6
Molar mass
386.40 g/mol
Exact mass
386.1478 Da
logP
3.84Crippen estimate
Polar surface area
111.3 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
7535-56-0
SMILES
CC(C)(C)OC(O)=N[C@@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1
InChIKey
QZIWWFMMLBBICG-KRWDZBQOSA-N
InChI
InChI=1S/C20H22N2O6/c1-20(2,3)28-19(24)21-17(13-14-7-5-4-6-8-14)18(23)27-16-11-9-15(10-12-16)22(25)26/h4-12,17H,13H2,1-3H3,(H,21,24)/t17-/m0/s1

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Names and synonyms

8 names
  • L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester
  • Alanine, N-carboxy-3-phenyl-, N-tert-butyl p-nitrophenyl ester, L-
  • Alanine, N-carboxy-3-phenyl-, N-tert-butyl p-nitrophenyl ester
  • N-(tert-Butyloxycarbonyl)-L-phenylalanine 4-nitrophenyl ester
  • N-(tert-Butyloxycarbonyl)-L-phenylalanine p-nitrophenyl ester
  • N-(tert-Butoxycarbonyl)phenylalanine 4-nitrophenyl ester
  • N-(tert-Butoxycarbonyl)phenylalanine p-nitrophenyl ester
  • BOC-L-Phenylalanine p-nitrophenyl ester

Work with N-(tert-Butoxycarbonyl)-L-phenylalanine P-nitrophenyl ester

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-[(Phenylmethoxy)carbonyl]-L-phenylalanine 4-nitrophenyl ester2578-84-975 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-L-asparagine 4-nitrophenyl ester4587-33-171 % similar N-[(1,1-Dimethylethoxy)carbonyl]-4-nitro-L-phenylalanine ethyl ester67630-00-671 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-L-glutamine 4-nitrophenyl ester15387-45-869 % similar N2,N6-Bis[(1,1-dimethylethoxy)carbonyl]-L-lysine 4-nitrophenyl ester2592-19-069 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-alanine 4-nitrophenyl ester2483-49-068 % similar N-(tert-Butoxycarbonyl)-4-nitro-L-phenylalanine33305-77-068 % similar N-[(Phenylmethoxy)carbonyl]-L-tyrosine 4-nitrophenyl ester3556-56-768 % similar

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

Same formula

N-[(Phenylmethoxy)carbonyl]-L-leucine 4-nitrophenyl ester1738-87-0

Elsewhere

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