(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoic acid
AlkaPlorer ID: AK250701
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Structure
SMILES: CC(C)[C@H](N)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(=O)O
InChI: InChI=1S/C14H20N2O4/c1-8(2)12(15)13(18)16-11(14(19)20)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7,15H2,1-2H3,(H,16,18)(H,19,20)/t11-,12-/m0/s1
InChIKey: VEYJKJORLPYVLO-RYUDHWBXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | Trypanosoma | Trypanosomatidae | Trypanosomatida | Kinetoplastea | Euglenozoa | None | Eukaryota |
Properties Information
Molecule Weight: 280.324
TPSA？: 116.14
MolLogP？: 1.3277
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Angiotensin-converting enzyme | IC50 | 21877.62 | nM | 10.1021/jm00014a022 |
| Homo sapiens | Angiotensin-converting enzyme | logIC50 | 1.2 | None | 10.1016/j.ejmech.2014.07.015 |
| Homo sapiens | Oligopeptide transporter small intestine isoform | Ki | 100000.0 | nM | 10.1021/jm030976x |
| Homo sapiens | Oligopeptide transporter small intestine isoform | Ki | 100000.0 | nM | 10.1021/jm048982w |
| Homo sapiens | Solute carrier family 15 member 2 | Ki | 2500.0 | nM | 10.1016/j.bmc.2011.06.027 |
| Homo sapiens | Solute carrier family 15 member 2 | Ki | 2511.89 | nM | 10.1016/j.bmc.2011.06.027 |
| Oryctolagus cuniculus | Angiotensin-converting enzyme | IC50 | 7000.0 | nM | 10.1016/j.ejmech.2011.05.007 |
| Rattus norvegicus | Tripeptidyl aminopeptidase | Ki | 857000.0 | nM | 10.1021/jm990226g |