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Molecule
Glycyl-L-Tyrosine
CAS: 658-79-7 · C11H14N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 658-79-7
- Molecular Formula
- C11H14N2O4
- Molecular Mass
- 238.24 g/mol
Identifiers
CAS Registry Number
658-79-7
SMILES
NCC(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChI Key
XBGGUPMXALFZOT-VIFPVBQESA-N
InChI
InChI=1S/C11H14N2O4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1
Names and Synonyms
- Glycyl-L-Tyrosine Synonym
- L-Tyrosine, glycyl- Synonym
- Tyrosine, N-glycyl-, L- Synonym
- L-Tyrosine, N-glycyl- Synonym
- Glycyl-L-tyrosine Synonym
- Glycyltyrosine Synonym
- N-Glycyltyrosine Synonym
- Glycine-tyrosine Synonym
- NSC 83260 Synonym
- 5: PN: WO2008106043 TABLE: 6 claimed protein Synonym
- 2: PN: WO2014063098 TABLE: 5 claimed protein Synonym
- 39: PN: US20130123467 SEQID: 43 claimed protein Synonym
- Gly-L-Try Synonym
- 5: PN: WO2008106043 TABLE: 6 claimed sequence Synonym
- 1: PN: JP2018014956 PAGE: 2 claimed sequence Synonym
- (2S)-2-[(2-Azaniumylacetyl)amino]-3-(4-hydroxyphenyl)propanoate Synonym
- (S)-2-(2-Aminoacetamido)-3-(4-hydroxyphenyl)propanoic acid Synonym
- (2S)-2-(2-Aminoacetamido)-3-(4-hydroxyphenyl)propanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 238.24 g/mol | CAS Common Chemistry |
| 238.243 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(NC(=O)CN)CC1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H14N2O4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XBGGUPMXALFZOT-VIFPVBQESA-N | CAS Common Chemistry |
| Melting Point | 130 °C (decomp) | CAS Common Chemistry |
| Name | Glycyl-L-tyrosine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 116.14 Ų | RDKit |
| LogP | 0.3030999999999999 | RDKit |
| 0.3031 | RDKit | |
| Molar Refractivity | 62.35280000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2727 | RDKit |
| 0.27 | chempirical lib | |
| Exact Mass | 238.095356928 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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
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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.
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MW = 238.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H14N2O4.
