chempirical

N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine

C19H28N2O6CAS 2389-45-9380.44 g/mol

Open in Covalent MOL file
OONHNHOOOOH
Carboxylic acid

Properties

Molecular formula
C19H28N2O6
Molar mass
380.44 g/mol
Exact mass
380.1947 Da
logP
3.47Crippen estimate
Polar surface area
120.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
9
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
2389-45-9
SMILES
CC(C)(C)OC(O)=N[C@@H](CCCCN=C(O)OCc1ccccc1)C(=O)O
InChIKey
BDHUTRNYBGWPBL-HNNXBMFYSA-N
InChI
InChI=1S/C19H28N2O6/c1-19(2,3)27-18(25)21-15(16(22)23)11-7-8-12-20-17(24)26-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/t15-/m0/s1

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Names and synonyms

15 names · show all
  • L-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-
  • Lysine, N2,N6-dicarboxy-, N6-benzyl N2-tert-butyl ester, L-
  • N2-tert-Butoxycarbonyl-N6-benzyloxycarbonyl-L-lysine
  • Nα-tert-Butoxycarbonyl-Nε-benzyloxycarbonyl-L-lysine
  • Nα-(tert-Butyloxycarbonyl)-Nε-(benzyloxycarbonyl)-L-lysine
  • (Carbobenzoxy)(carbo-tert-butoxy)lysine
  • N6-Benzyloxycarbonyl-N2-tert-butoxycarbonyl-L-lysine
  • Boc-lys(Z)-OH
  • NSC 334368
  • (2S)-6-(Benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoic acid
  • Boc-L-lys(Z)OH
  • Boc-L-lys(cbz)-OH
  • (2S)-6-[[(Benzyloxy)carbonyl]amino]-2-[[(tert-butoxy)carbonyl]amino]hexanoic acid
  • (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid
  • (S)-6-[[(Benzyloxy)carbonyl]amino]-2-[(tert-butoxycarbonyl)amino]hexanoic acid

Work with N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine

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]-N5-[(phenylmethoxy)carbonyl]-D-ornithine16937-92-194 % similar Nα-tert-Butoxycarbonyl-Nε-benzyloxycarbonyl-L-lysine compound with dicyclohexylamine (1:1)16948-04-291 % similar D-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)76477-42-491 % similar L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)2212-76-284 % similar N2,N6-Bis[(phenylmethoxy)carbonyl]-L-lysine405-39-081 % similar N6-[[(2-Chlorophenyl)methoxy]carbonyl]-N2-[(1,1-dimethylethoxy)carbonyl]-L-lysine54613-99-975 % similar 5-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13574-13-575 % similar L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-[[(phenylmethoxy)carbonyl]amino]-, compd. with N-cyclohexylcyclohexanamine (1:1)65710-58-975 % similar

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

Same formula

N6-[(1,1-Dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-L-lysine2389-60-8

Elsewhere

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