(2S)-2-[(2R)-2-ammoniopropanamido]-3-phenylpropanoate
AlkaPlorer ID: AK254387
Synonym: None
IUPAC Name: (2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
Structure
SMILES: C[C@@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O
InChI: InChI=1S/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10+/m1/s1
InChIKey: OMNVYXHOSHNURL-SCZZXKLOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 236.271
TPSA？: 92.42
MolLogP？: 0.1457000000000001
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Angiotensin-converting enzyme | IC50 | 52480.75 | nM | 10.1021/jm00068a017 |
| Homo sapiens | Angiotensin-converting enzyme | IC50 | 190546.07 | nM | 10.1021/jm00068a017 |
| Rattus norvegicus | Neprilysin | IC50 | nan | nM | 10.1021/jm00155a027 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |