chempirical

N6-Carbobenzoxy-L-lysine benzyl ester hydrochloride

C21H27ClN2O4CAS 6366-70-7406.91 g/mol

Open in Covalent MOL file
HClH2NNHOOOO
EsterPrimary amine

Properties

Molecular formula
C21H27ClN2O4
Molar mass
406.91 g/mol
Exact mass
406.1659 Da
Melting point
139 °C
logP
3.78Crippen estimate
Polar surface area
94.1 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
10
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
6366-70-7
SMILES
Cl.N[C@@H](CCCCN=C(O)OCc1ccccc1)C(=O)OCc1ccccc1
InChIKey
XHBTZNKKLKICJY-FYZYNONXSA-N
InChI
InChI=1S/C21H26N2O4.ClH/c22-19(20(24)26-15-17-9-3-1-4-10-17)13-7-8-14-23-21(25)27-16-18-11-5-2-6-12-18;/h1-6,9-12,19H,7-8,13-16,22H2,(H,23,25);1H/t19-;/m0./s1

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

Names and synonyms

6 names
  • L-Lysine, N6-[(phenylmethoxy)carbonyl]-, phenylmethyl ester, hydrochloride (1:1)
  • Lysine, N6-carboxy-, dibenzyl ester, hydrochloride, L-
  • L-Lysine, N6-[(phenylmethoxy)carbonyl]-, phenylmethyl ester, monohydrochloride
  • Lysine, N6-carboxy-, dibenzyl ester, hydrochloride
  • NSC 88180
  • (S)-Benzyl 2-amino-6-(((benzyloxy)carbonyl)amino)hexanoate hydrochloride

Work with N6-Carbobenzoxy-L-lysine benzyl ester hydrochloride

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

ε-(N-Benzyloxycarbonyl)-L-lysine methyl ester hydrochloride27894-50-485 % similar ε-(Benzyloxycarbonyl)-L-lysine1155-64-275 % similar N5-[(Phenylmethoxy)carbonyl]-L-ornithine3304-51-669 % similar N-Benzyloxycarbonyl-1,4-butanediamine hydrochloride18807-73-363 % similar N2,N6-Bis[(phenylmethoxy)carbonyl]-L-lysine405-39-059 % similar Dibenzyl L-glutamate hydrochloride4561-10-858 % similar Phenylalanine benzyl ester hydrochloride2462-32-058 % similar L-Glutamic acid alpha-benzyl ester13030-09-657 % similar

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

Elsewhere

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