L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)

C31H51N3O6CAS 2212-76-2561.76 g/mol

Open in Covalent MOL file
NHOONHNHOOOOH
Carboxylic acidSecondary amine

Properties

Molecular formula
C31H51N3O6
Molar mass
561.76 g/mol
Exact mass
561.3778 Da
Melting point
156–157 °C
logP
6.71Crippen estimate
Polar surface area
133.0 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
11
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
2212-76-2
SMILES
C1CCC(NC2CCCCC2)CC1.CC(C)(C)OC(O)=NCCCC[C@H](N=C(O)OCc1ccccc1)C(=O)O
InChIKey
VTDLJMATIHSOTR-RSAXXLAASA-N
InChI
InChI=1S/C19H28N2O6.C12H23N/c1-19(2,3)27-17(24)20-12-8-7-11-15(16(22)23)21-18(25)26-13-14-9-5-4-6-10-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23);11-13H,1-10H2/t15-;/m0./s1

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Names and synonyms

2 names
  • Lysine, N2,N6-dicarboxy-, N2-benzyl N6-tert-butyl ester, compd. with dicyclohexylamine (1:1), L-
  • Lysine, N2,N6-dicarboxy-, N2-benzyl N6-tert-butyl ester, compd. with dicyclohexylamine

Work with L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N6-[(1,1-Dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-L-lysine2389-60-8Free acid Dicyclohexylamine101-83-7Free base Dicyclohexylammonium nitrite3129-91-7Salt N-Benzyloxycarbonyl-L-leucine dicyclohexylamine salt53363-87-4Salt Nα-tert-Butoxycarbonyl-Nε-benzyloxycarbonyl-L-lysine compound with dicyclohexylamine (1:1)16948-04-2Salt N-Carbobenzoxy-L-aspartic acid β-tert-butyl ester dicyclohexylamine salt (1:1)23632-70-4Salt Boc-His(Boc)-OH dicyclohexylamine (1:1)31687-58-8Salt N-Benzyloxycarbonyl-L-isoleucine dicyclohexylamine salt26699-00-3Salt D-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)76477-42-4Salt L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1)1913-12-8Salt Z-D-Leu-OH.DCHA7662-58-0Salt Boc-N-me-phe DCHA40163-88-0Salt

Similar compounds

N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine2389-45-984 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-D-ornithine16937-92-180 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-L-ornithine2480-93-580 % similar N2,N6-Bis[(phenylmethoxy)carbonyl]-L-lysine405-39-074 % similar 5-tert-Butyl N-((phenylmethoxy)carbonyl)-L-glutamate3886-08-666 % similar Fmoc-lys(boc)-OH71989-26-966 % similar N6-[[(2-Chlorophenyl)methoxy]carbonyl]-N2-[(1,1-dimethylethoxy)carbonyl]-L-lysine54613-99-965 % similar 4-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-aspartate5545-52-865 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

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