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Molecule
N2,N6-Bis[(Phenylmethoxy)Carbonyl]-L-Lysine
CAS: 405-39-0 · C22H26N2O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 405-39-0
- Molecular Formula
- C22H26N2O6
- Molecular Mass
- 414.46 g/mol
Identifiers
CAS Registry Number
405-39-0
SMILES
O=C(O)[C@H](CCCCN=C(O)OCc1ccccc1)N=C(O)OCc1ccccc1
InChI Key
BLZXFNUZFTZCFD-IBGZPJMESA-N
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
Names and Synonyms
- N2,N6-Bis[(Phenylmethoxy)Carbonyl]-L-Lysine Systematic Name
- L-Lysine, N2,N6-bis[(phenylmethoxy)carbonyl]- Synonym
- Lysine, N2,N6-dicarboxy-, N2,N6-dibenzyl ester, L- Synonym
- N2,N6-Bis[(phenylmethoxy)carbonyl]-L-lysine Synonym
- N,N′-Dicarbobenzoxy-L-lysine Synonym
- N2,N6-Dicarbobenzoxy-L-lysine Synonym
- α,ε-Dicarbobenzoxy-L-lysine Synonym
- Nα,Nε-Bis(carbobenzyloxy)-L-lysine Synonym
- N,N′-Bis(benzyloxycarbonyl)lysine Synonym
- N2,N6-Bis(benzyloxycarbonyl)-L-lysine Synonym
- Nα,Nε-Bis(benzyloxycarbonyl)lysine Synonym
- N,N′-Bis(benzyloxycarbonyl)-L-lysine Synonym
- NSC 88474 Synonym
- 124: PN: WO2004099237 PAGE: 36 claimed protein Synonym
- Nα,Nω-Bis(benzyloxycarbonyl)-L-lysine Synonym
- N,N′-Di-Z-L-lysine Synonym
- Z-Lyz(Z)-OH Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 414.46 g/mol | CAS Common Chemistry |
| 414.45800000000014 g/mol | RDKit | |
| 414.458 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 |
| 120.94 Ų | RDKit | |
| LogP | 3.871500000000003 | RDKit |
| 3.8715 | RDKit | |
| Molar Refractivity | 112.73140000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3182 | RDKit |
| 0.32 | chempirical lib | |
| Exact Mass | 414.17908655199994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
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MW = 414.46 g/mol. Edit any field — others recompute live.
