Back to Search
Fmoc-L-Tryptophan
CAS: 35737-15-6 | C26H22N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
35737-15-6
Molecular Formula:
C26H22N2O4
Molecular Mass:
426.47 g/mol
Names and Synonyms:
Fmoc-L-Tryptophan
L-Tryptophan, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-tryptophan
FMOC-Trp-OH
N-(9-Fluorenylmethoxycarbonyl)tryptophan
Fmoc-tryptophan
Fmoc-L-tryptophan
NSC 334295
(S)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-3-(1H-indol-3-yl)propionic acid
N-(Fluorenyl-9-methoxycarbonyl)-terminated tryptophan
(2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoic acid
(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
(2S)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)-3-(1H-indol-3-yl)propanoic acid
Identifiers:
SMILES:
O=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)OCC1c2ccccc2-c2ccccc21
InChI:
InChI=1S/C26H22N2O4/c29-25(30)24(13-16-14-27-23-12-6-5-7-17(16)23)28-26(31)32-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,14,22,24,27H,13,15H2,(H,28,31)(H,29,30)/t24-/m0/s1
Key Properties
Melting Point
182-183 °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 | 426.47 g/mol | CAS Common Chemistry |
| 426.4720000000002 g/mol | RDKit | |
| 426.157957184 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CC4=CNC=5C=CC=CC54 | CAS Common Chemistry |
| InChI | InChI=1S/C26H22N2O4/c29-25(30)24(13-16-14-27-23-12-6-5-7-17(16)23)28-26(31)32-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,14,22,24,27H,13,15H2,(H,28,31)(H,29,30)/t24-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=MGHMWKZOLAAOTD-DEOSSOPVSA-N | CAS Common Chemistry |
| Melting Point | 182-183 °C | CAS Common Chemistry |
| Name | Fmoc-L-tryptophan | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 94.91 Ų | RDKit |
| LogP | 4.906700000000003 | RDKit |
| Molar Refractivity | 123.1633 | RDKit |
