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D-Fmoc-Methionine
CAS: 112883-40-6 | C20H21NO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112883-40-6
Molecular Formula:
C20H21NO4S
Molecular Mass:
371.46 g/mol
Names and Synonyms:
D-Fmoc-Methionine
D-Methionine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-methionine
N-(9-Fluorenylmethoxycarbonyl)-D-methionine
982: PN: WO2006135786 PAGE: 70 claimed protein
291: PN: US20070042401 PAGE: 37 claimed protein
D-FMOC-methionine
(2R)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoic acid
(2R)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)-4-(methylsulfanyl)butanoic acid
Identifiers:
SMILES:
CSCC[C@@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChI:
InChI=1S/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m1/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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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 |
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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 | 371.46 g/mol | CAS Common Chemistry |
| 371.45800000000014 g/mol | RDKit | |
| 371.11912915199997 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCSC | CAS Common Chemistry |
| InChI | InChI=1S/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BUBGAUHBELNDEW-GOSISDBHSA-N | CAS Common Chemistry |
| Name | D-FMOC-methionine | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 79.12 Ų | RDKit |
| LogP | 3.935800000000002 | RDKit |
| Molar Refractivity | 104.15960000000007 | RDKit |
