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N′-Fmoc-L-Lysine
CAS: 84624-28-2 | C21H24N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
84624-28-2
Molecular Formula:
C21H24N2O4
Molecular Mass:
368.43 g/mol
Names and Synonyms:
N′-Fmoc-L-Lysine
L-Lysine, N6-[(9H-fluoren-9-ylmethoxy)carbonyl]-
N6-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-lysine
3: PN: WO03068990 PAGE: 60 claimed protein
H-L-Lys(ε-fmoc)-OH
N′-Fmoc-L-lysine
Identifiers:
SMILES:
N[C@@H](CCCCN=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChI:
InChI=1S/C21H24N2O4/c22-19(20(24)25)11-5-6-12-23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25)/t19-/m0/s1
Key Properties
Melting Point
209-210 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
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 |
|---|
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 | 368.43 g/mol | CAS Common Chemistry |
| 368.4330000000001 g/mol | RDKit | |
| 368.17360724799994 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NCCCCC(N)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C21H24N2O4/c22-19(20(24)25)11-5-6-12-23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25)/t19-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RAQBUPMYCNRBCQ-IBGZPJMESA-N | CAS Common Chemistry |
| Melting Point | 209-210 °C | CAS Common Chemistry |
| Name | N′-Fmoc-L-lysine | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 105.14 Ų | RDKit |
| LogP | 3.311700000000001 | RDKit |
| Molar Refractivity | 104.06600000000006 | RDKit |
