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N2,N6-Bis[(Phenylmethoxy)Carbonyl]-L-Lysine
CAS: 405-39-0 | C22H26N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
405-39-0
Molecular Formula:
C22H26N2O6
Molecular Mass:
414.46 g/mol
Names and Synonyms:
N2,N6-Bis[(Phenylmethoxy)Carbonyl]-L-Lysine
L-Lysine, N2,N6-bis[(phenylmethoxy)carbonyl]-
Lysine, N2,N6-dicarboxy-, N2,N6-dibenzyl ester, L-
N2,N6-Bis[(phenylmethoxy)carbonyl]-L-lysine
N,N′-Dicarbobenzoxy-L-lysine
N2,N6-Dicarbobenzoxy-L-lysine
α,ε-Dicarbobenzoxy-L-lysine
Nα,Nε-Bis(carbobenzyloxy)-L-lysine
N,N′-Bis(benzyloxycarbonyl)lysine
N2,N6-Bis(benzyloxycarbonyl)-L-lysine
Nα,Nε-Bis(benzyloxycarbonyl)lysine
N,N′-Bis(benzyloxycarbonyl)-L-lysine
NSC 88474
124: PN: WO2004099237 PAGE: 36 claimed protein
Nα,Nω-Bis(benzyloxycarbonyl)-L-lysine
N,N′-Di-Z-L-lysine
Z-Lyz(Z)-OH
Identifiers:
SMILES:
O=C(O)[C@H](CCCCN=C(O)OCc1ccccc1)N=C(O)OCc1ccccc1
InChI:
InChI=1S/C22H26N2O6/c25-20(26)19(24-22(28)30-16-18-11-5-2-6-12-18)13-7-8-14-23-21(27)29-15-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H,23,27)(H,24,28)(H,25,26)/t19-/m0/s1
Key Properties
Melting Point
55-69 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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6
5
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 414.46 g/mol | CAS Common Chemistry |
| 414.45800000000014 g/mol | RDKit | |
| 414.17908655199994 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC=1C=CC=CC1)NCCCCC(NC(=O)OCC=2C=CC=CC2)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C22H26N2O6/c25-20(26)19(24-22(28)30-16-18-11-5-2-6-12-18)13-7-8-14-23-21(27)29-15-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H,23,27)(H,24,28)(H,25,26)/t19-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BLZXFNUZFTZCFD-IBGZPJMESA-N | CAS Common Chemistry |
| Melting Point | 55-69 °C | CAS Common Chemistry |
| Name | N2,N6-Bis[(phenylmethoxy)carbonyl]-L-lysine | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 120.94000000000001 Ų | RDKit |
| LogP | 3.871500000000003 | RDKit |
| Molar Refractivity | 112.73140000000004 | RDKit |
