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Carbobenzoxy-L-Tyrosine
CAS: 1164-16-5 | C17H17NO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1164-16-5
Molecular Formula:
C17H17NO5
Molecular Mass:
315.33 g/mol
Names and Synonyms:
Carbobenzoxy-L-Tyrosine
L-Tyrosine, N-[(phenylmethoxy)carbonyl]-
N-Carbobenzoxytyrosine
L-(Carbobenzyloxy)tyrosine
N-Carbobenzyloxy-L-tyrosine
NSC 88488
N-CBZ-L-tyrosine
(2S)-2-(Benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoic acid
(2S)-2-[[(Benzyloxy)carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
(2S)-3-(4-Hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
Tyrosine, N-carboxy-, N-benzyl ester, L-
Tyrosine, N-carboxy-, N-benzyl ester
N-[(Phenylmethoxy)carbonyl]-L-tyrosine
N-Carbobenzoxy-L-tyrosine
Carbobenzoxy-L-tyrosine
N-(Benzyloxycarbonyl)-L-tyrosine
Carbobenzoxytyrosine
Benzyloxycarbonyl-L-tyrosine
N-(Benzyloxycarbonyl)tyrosine
(Benzyloxycarbonyl)tyrosine
Identifiers:
SMILES:
O=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)OCc1ccccc1
InChI:
InChI=1S/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/t15-/m0/s1
Key Properties
Melting Point
95-96 °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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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 |
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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 | 315.33 g/mol | CAS Common Chemistry |
| 315.325 g/mol | RDKit | |
| 315.11067264400003 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(NC(=O)OCC=1C=CC=CC1)CC2=CC=C(O)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/t15-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=MCRMUCXATQAAMN-HNNXBMFYSA-N | CAS Common Chemistry |
| Melting Point | 95-96 °C | CAS Common Chemistry |
| Name | Carbobenzoxy-L-tyrosine | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 99.35000000000001 Ų | RDKit |
| LogP | 2.518700000000001 | RDKit |
| Molar Refractivity | 84.52940000000004 | RDKit |
