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Molecule
Fmoc-L-Tryptophan
CAS: 35737-15-6 · C26H22N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 35737-15-6
- Molecular Formula
- C26H22N2O4
- Molecular Mass
- 426.47 g/mol
Identifiers
CAS Registry Number
35737-15-6
SMILES
O=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)OCC1c2ccccc2-c2ccccc21
InChI Key
MGHMWKZOLAAOTD-DEOSSOPVSA-N
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
Names and Synonyms
- Fmoc-L-Tryptophan Common Name
- L-Tryptophan, N-[(9H-fluoren-9-ylmethoxy)carbonyl]- Synonym
- N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-tryptophan Synonym
- FMOC-Trp-OH Synonym
- N-(9-Fluorenylmethoxycarbonyl)tryptophan Synonym
- Fmoc-tryptophan Synonym
- Fmoc-L-tryptophan Synonym
- NSC 334295 Synonym
- (S)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-3-(1H-indol-3-yl)propionic acid Synonym
- N-(Fluorenyl-9-methoxycarbonyl)-terminated tryptophan Synonym
- (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoic acid Synonym
- (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid Synonym
- (2S)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)-3-(1H-indol-3-yl)propanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 426.47 g/mol | CAS Common Chemistry |
| 426.4720000000002 g/mol | RDKit | |
| 426.472 g/mol | RDKit | |
| 427.48 g/mol | chempirical lib | |
| 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 |
| 91.12 Ų | chempirical lib | |
| LogP | 4.906700000000003 | RDKit |
| 4.9067 | RDKit | |
| Molar Refractivity | 123.1633 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1538 | RDKit |
| Exact Mass | 426.157957184 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
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MW = 426.47 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C26H22N2O4.
