chempirical

N-Benzyloxycarbonyl-L-leucine dicyclohexylamine salt

C26H42N2O4CAS 53363-87-4446.63 g/mol

Open in Covalent MOL file
NHNHOOOOH
Carboxylic acidSecondary amine

Properties

Molecular formula
C26H42N2O4
Molar mass
446.63 g/mol
Exact mass
446.3145 Da
logP
5.86Crippen estimate
Polar surface area
91.2 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
53363-87-4
SMILES
C1CCC(NC2CCCCC2)CC1.CC(C)C[C@H](N=C(O)OCc1ccccc1)C(=O)O
InChIKey
FOULZFSGIVQTHX-YDALLXLXSA-N
InChI
InChI=1S/C14H19NO4.C12H23N/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17);11-13H,1-10H2/t12-;/m0./s1

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

Names and synonyms

4 names
  • L-Leucine, N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)
  • L-Leucine, N-carboxy-, N-benzyl ester, dicyclohexylamine salt
  • N-Benzyloxycarbonylleucine dicyclohexylammonium salt
  • NSC 352097

Work with N-Benzyloxycarbonyl-L-leucine dicyclohexylamine salt

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

Benzyloxycarbonyl-L-leucine2018-66-883 % similar N-Carbobenzoxy-L-aspartic acid β-tert-butyl ester dicyclohexylamine salt (1:1)23632-70-467 % similar L-Tyrosine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)16879-90-665 % similar L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)2212-76-265 % similar L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-[[(phenylmethoxy)carbonyl]amino]-, compd. with N-cyclohexylcyclohexanamine (1:1)65710-58-965 % similar N-[(Phenylmethoxy)carbonyl]norvaline21691-43-063 % similar N-[(Phenylmethoxy)carbonyl]-L-norvaline21691-44-163 % similar L-Threonine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)16966-07-763 % similar

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

Same formula

N-Benzyloxycarbonyl-L-isoleucine dicyclohexylamine salt26699-00-3

Elsewhere

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