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Benzyloxycarbonyl-L-Tryptophan
CAS: 7432-21-5 | C19H18N2O4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
7432-21-5
Molecular Formula:
C19H18N2O4
Molecular Mass:
338.36 g/mol
Names and Synonyms:
Benzyloxycarbonyl-L-Tryptophan
L-Tryptophan, N-[(phenylmethoxy)carbonyl]-
Tryptophan, N-carboxy-, N-benzyl ester, L-
N-[(Phenylmethoxy)carbonyl]-L-tryptophan
Carbobenzoxy-L-tryptophan
N-Carbobenzoxy-L-tryptophan
N-Benzyloxycarbonyl-L-tryptophan
Benzyloxycarbonyl-L-tryptophan
N-(Benzyloxycarbonyl)tryptophan
Nα-Benzyloxycarbonyl-L-tryptophan
L-(Carbobenzyloxy)tryptophan
N-Cbz-L-Tryptophan
N-Carbobenzyloxy-L-tryptophan
NSC 521831
(S)-2-(((Benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoic acid
N-Cbz-L-Trp-Oh
(2S)-2-[[(Benzyloxy)carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
(2S)-3-(1H-Indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
Identifiers:
SMILES:
O=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)OCc1ccccc1
InChI:
InChI=1S/C19H18N2O4/c22-18(23)17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)25-12-13-6-2-1-3-7-13/h1-9,11,17,20H,10,12H2,(H,21,24)(H,22,23)/t17-/m0/s1
Key Properties
Melting Point
123-125 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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 | 338.36 g/mol | CAS Common Chemistry |
| 338.3630000000001 g/mol | RDKit | |
| 338.126657056 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC=1C=CC=CC1)NC(C(=O)O)CC2=CNC=3C=CC=CC32 | CAS Common Chemistry |
| InChI | InChI=1S/C19H18N2O4/c22-18(23)17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)25-12-13-6-2-1-3-7-13/h1-9,11,17,20H,10,12H2,(H,21,24)(H,22,23)/t17-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AHYFYYVVAXRMKB-KRWDZBQOSA-N | CAS Common Chemistry |
| Melting Point | 123-125 °C | CAS Common Chemistry |
| Name | Benzyloxycarbonyl-L-tryptophan | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 94.91 Ų | RDKit |
| LogP | 3.2944000000000013 | RDKit |
| Molar Refractivity | 94.72130000000001 | RDKit |
