Back to Search
Molecule
Fmoc-Lys(Boc)-Oh
CAS: 71989-26-9 · C26H32N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 71989-26-9
- Molecular Formula
- C26H32N2O6
- Molecular Mass
- 468.55 g/mol
Identifiers
CAS Registry Number
71989-26-9
SMILES
CC(C)(C)OC(O)=NCCCC[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChI Key
UMRUUWFGLGNQLI-QFIPXVFZSA-N
InChI
InChI=1S/C26H32N2O6/c1-26(2,3)34-24(31)27-15-9-8-14-22(23(29)30)28-25(32)33-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)/t22-/m0/s1
Names and Synonyms
- Fmoc-Lys(Boc)-Oh Synonym
- L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- Synonym
- N6-[(1,1-Dimethylethoxy)carbonyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysine Synonym
- Fmoc-Lys(Boc)-OH Synonym
- Nα-(9-Fluorenylmethoxycarbonyl)-Nε-(tert-butoxycarbonyl)lysine Synonym
- N-α-(Fmoc)-N-ε-(t-boc)-L-Lysine-OH Synonym
- NSC 334302 Synonym
- (S)-6-[(tert-Butoxycarbonyl)amino]-2-[[[(9H-fluoren-9-yl)methoxy]carbonyl]amino]hexanoic acid Synonym
- (2S)-6-(tert-Butoxycarbonylamino)-2-[[[(9H-fluoren-9-yl)methoxy]carbonyl]amino]hexanoic acid Synonym
- (S)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-6-(tert-butoxycarbonylamino)hexanoic acid Synonym
- N-α-Fluorenylmethoxycarbonyl-N-ε-tert-butoxycarbonyl-L-lysine Synonym
- (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 468.55 g/mol | CAS Common Chemistry |
| 468.5500000000002 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCCNC(=O)OC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C26H32N2O6/c1-26(2,3)34-24(31)27-15-9-8-14-22(23(29)30)28-25(32)33-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)/t22-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UMRUUWFGLGNQLI-QFIPXVFZSA-N | CAS Common Chemistry |
| Melting Point | 132-134 °C | CAS Common Chemistry |
| Name | Fmoc-Lys(Boc)-OH | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 120.94000000000001 Ų | RDKit |
| 120.94 Ų | RDKit | |
| LogP | 5.082100000000004 | RDKit |
| 5.0821 | RDKit | |
| Molar Refractivity | 130.78040000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4231 | RDKit |
| 0.42 | chempirical lib | |
| Exact Mass | 468.22603674399994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 468.55 g/mol. Edit any field — others recompute live.
