3-amino-3-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid
AlkaPlorer ID: AK463301
Synonym: None
IUPAC Name: (3S)-3-amino-4-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxobutanoic acid
Structure
SMILES: N[C@@H](CC(=O)O)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(=O)O
InChI: InChI=1S/C13H16N2O6/c14-9(6-11(17)18)12(19)15-10(13(20)21)5-7-1-3-8(16)4-2-7/h1-4,9-10,16H,5-6,14H2,(H,15,19)(H,17,18)(H,20,21)/t9-,10-/m0/s1
InChIKey: NALWOULWGHTVDA-UWVGGRQHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | Trypanosoma | Trypanosomatidae | Trypanosomatida | Kinetoplastea | Euglenozoa | None | Eukaryota |
Properties Information
Molecule Weight: 296.279
TPSA？: 153.44
MolLogP？: 0.1464000000000003
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Angiotensin-converting enzyme | logIC50 | 2.0 | None | 10.1016/j.ejmech.2014.07.015 |
| Rattus norvegicus | Tripeptidyl aminopeptidase | Ki | 5000000.0 | nM | 10.1021/jm990226g |
| None | Unchecked | Taste class | nan | None | 10.1021/jm00156a006 |