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N6-[(1,1-Dimethylethoxy)Carbonyl]-N2-[(Phenylmethoxy)Carbonyl]-L-Lysine
CAS: 2389-60-8 | C19H28N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2389-60-8
Molecular Formula:
C19H28N2O6
Molecular Mass:
380.44 g/mol
Names and Synonyms:
N6-[(1,1-Dimethylethoxy)Carbonyl]-N2-[(Phenylmethoxy)Carbonyl]-L-Lysine
L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-
Lysine, N2,N6-dicarboxy-, N2-benzyl N6-tert-butyl ester, L-
N6-[(1,1-Dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-L-lysine
Nε-[(tert-Butoxy)carbonyl]-Nα--[(benzyloxy)carbonyl]-L-lysine
N2-Benzyloxycarbonyl-N6-tert-butoxycarbonyl-L-lysine
Z-Lys(Boc)-OH
Cbz-Lys(Boc)-OH
NSC 164047
(S)-2-(Benzyloxycarbonylamino)-6-(tert-butoxycarbonylamino)hexanoic acid
N-α-Benzyloxycarbonyl-N-ε-tert-butoxycarbonyl-L-lysine
Cbz-L-Lys(Boc)-OH
(2S)-6-[(2-Methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid
Identifiers:
SMILES:
CC(C)(C)OC(O)=NCCCC[C@H](N=C(O)OCc1ccccc1)C(=O)O
InChI:
InChI=1S/C19H28N2O6/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/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/t15-/m0/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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80
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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 | 380.44 g/mol | CAS Common Chemistry |
| 380.4410000000001 g/mol | RDKit | |
| 380.19473661599994 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC=1C=CC=CC1)NC(C(=O)O)CCCCNC(=O)OC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H28N2O6/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/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/t15-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DYSBKEOCHROEGX-HNNXBMFYSA-N | CAS Common Chemistry |
| Name | N6-[(1,1-Dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-L-lysine | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 120.94000000000001 Ų | RDKit |
| LogP | 3.469800000000002 | RDKit |
| Molar Refractivity | 102.33840000000008 | RDKit |
