chempirical

N2,N6-Bis[(1,1-dimethylethoxy)carbonyl]-L-lysine 4-nitrophenyl ester

C22H33N3O8CAS 2592-19-0467.52 g/mol

Open in Covalent MOL file
OONHHNOOOON+OO−
EsterNitro

Properties

Molecular formula
C22H33N3O8
Molar mass
467.52 g/mol
Exact mass
467.2268 Da
logP
4.50Crippen estimate
Polar surface area
153.1 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
9
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
2592-19-0
SMILES
CC(C)(C)OC(O)=NCCCC[C@H](N=C(O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1
InChIKey
LYUXBTAUKJETMS-KRWDZBQOSA-N
InChI
InChI=1S/C22H33N3O8/c1-21(2,3)32-19(27)23-14-8-7-9-17(24-20(28)33-22(4,5)6)18(26)31-16-12-10-15(11-13-16)25(29)30/h10-13,17H,7-9,14H2,1-6H3,(H,23,27)(H,24,28)/t17-/m0/s1

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Names and synonyms

4 names
  • L-Lysine, N2,N6-bis[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester
  • Lysine, N2,N6-dicarboxy-, N2,N6-di-tert-butyl p-nitrophenyl ester, L-
  • Lysine, N2,N6-dicarboxy-, N2,N6-di-tert-butyl p-nitrophenyl ester
  • Nα,Nε-DiBoc-L-lysine p-nitrophenol ester

Work with N2,N6-Bis[(1,1-dimethylethoxy)carbonyl]-L-lysine 4-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

N2-[(1,1-Dimethylethoxy)carbonyl]-L-glutamine 4-nitrophenyl ester15387-45-872 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-L-asparagine 4-nitrophenyl ester4587-33-169 % similar N-(tert-Butoxycarbonyl)-L-phenylalanine P-nitrophenyl ester7535-56-069 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-alanine 4-nitrophenyl ester2483-49-066 % similar S-[(Acetylamino)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-cysteine 4-nitrophenyl ester58651-76-666 % similar N-[(1,1-Dimethylethoxy)carbonyl]-4-nitro-L-phenylalanine ethyl ester67630-00-659 % similar N-(tert-Butoxycarbonyl)-4-nitro-L-phenylalanine33305-77-056 % similar L-Lysine, N2,N6-bis[(1,1-dimethylethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)15098-69-851 % similar

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

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