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Fmoc-L-Phenylalanine
CAS: 35661-40-6 | C24H21NO4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
35661-40-6
Molecular Formula:
C24H21NO4
Molecular Mass:
387.44 g/mol
Names and Synonyms:
Fmoc-L-Phenylalanine
(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-phenylpropanoic acid
L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine
N-(9-Fluorenylmethoxycarbonyl)phenylalanine
N-(9-Fluorenylmethoxycarbonyl)-L-phenylalanine
FMOC-L-phenylalanine
Fmoc-phenylalanine
NSC 334293
(S)-2-[9H-Fluoren-9-yl(methoxycarbonyl)amino]-3-phenylpropionic acid
(S)-N-Fmoc-phenylalanine
917: PN: WO2006135786 PAGE: 59 claimed protein
226: PN: US20070042401 PAGE: 30 claimed protein
(2S)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-3-phenylpropanoic acid
N-α-[[(9H-Fluoren-9-yl)methoxy]carbonyl]-L-phenylalanine
N-9-Fluorenylmethoxycarbonylphenylalanine
Identifiers:
SMILES:
O=C(O)[C@H](Cc1ccccc1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChI:
InChI=1S/C24H21NO4/c26-23(27)22(14-16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/m0/s1
Key Properties
Melting Point
166-168 °C (decomp)
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 | 387.44 g/mol | CAS Common Chemistry |
| 387.4350000000001 g/mol | RDKit | |
| 387.147058152 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CC=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C24H21NO4/c26-23(27)22(14-16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SJVFAHZPLIXNDH-QFIPXVFZSA-N | CAS Common Chemistry |
| Melting Point | 166-168 °C (decomp) | CAS Common Chemistry |
| Name | FMOC-L-phenylalanine | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 79.12 Ų | RDKit |
| LogP | 4.425400000000003 | RDKit |
| Molar Refractivity | 111.30660000000003 | RDKit |
