5-[(2-Hydroxy-2-phenylethyl)amino]-5-oxo-3-phenylpentanoic acid
4480
Reference
5-[(2-Hydroxy-2-phenylethyl)amino]-5-oxo-3-phenylpentanoic acid Structure
Systematic / IUPAC Name: 5-[(2-Hydroxy-2-phenylethyl)amino]-5-oxo-3-phenylpentanoic acid
ID: Reference4480
Other Names: Benzenepropanoic acid, β-{2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl}-
Formula: C19H21NO4
Spectral Data
5-[(2-Hydroxy-2-phenylethyl)amino]-5-oxo-3-phenylpentanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 206 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 4/8/2016 12:39:43 PM |
Identificators
| InChI | InChI=1S/C19H21NO4/c21-17(15-9-5-2-6-10-15)13-20-18(22)11-16(12-19(23)24)14-7-3-1-4-8-14/h1-10,16-17,21H,11-13H2,(H,20,22)(H,23,24) |
| InChI Key | QEVBFDMCNMNBMJ-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C=C1)C(CC(=O)NCC(C2=CC=CC=C2)O)CC(=O)O |
| CAS | |
| Splash | |
| Other Names | Benzenepropanoic acid, β-{2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl}- |
In Other Databases
| ChemSpider | 2091168 |
| ChEMBL | CHEMBL1865544 |
| PubChem | 2812764 |