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CHEBI:180575 - bestatin hydrochloride
| Formula | C16H24N2O4.HCl |
| Net Charge | 0 |
| Average Mass | 344.839 |
| Monoisotopic Mass | 344.15028 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O.Cl |
| InChI | InChI=1S/C16H24N2O4.ClH/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11;/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22);1H/t12-,13+,14+;/m1./s1 |
| InChIKey | XGDFITZJGKUSDK-UDYGKFQRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | pancreas (BTO:0000988) | MetaboLights (MTBLS1925) | Strain: PANC-1 cell [BCGO:0000122] |
| Roles Classification |
|---|
| Biological Roles: | protease inhibitor A compound which inhibits or antagonizes the biosynthesis or actions of proteases (endopeptidases). EC 3.4.11.* (aminopeptidase) inhibitor An EC 3.4.* (hydrolases acting on peptide bond) inhibitor that interferes wtih the action of any aminopeptidase (EC 3.4.11.*). immunomodulator Biologically active substance whose activity affects or plays a role in the functioning of the immune system. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. immunomodulator Biologically active substance whose activity affects or plays a role in the functioning of the immune system. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bestatin hydrochloride (CHEBI:180575) has part bestatin zwitterion (CHEBI:746940) |
| bestatin hydrochloride (CHEBI:180575) has role antineoplastic agent (CHEBI:35610) |
| bestatin hydrochloride (CHEBI:180575) has role EC 3.4.11.* (aminopeptidase) inhibitor (CHEBI:76787) |
| bestatin hydrochloride (CHEBI:180575) has role immunomodulator (CHEBI:50846) |
| bestatin hydrochloride (CHEBI:180575) has role protease inhibitor (CHEBI:37670) |
| bestatin hydrochloride (CHEBI:180575) is a hydrochloride (CHEBI:36807) |
| IUPAC Name |
|---|
| N-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine hydrochloride |
| Synonyms | Source |
|---|---|
| (−)-bestatin HCl | ChEBI |
| bestatin HCl | ChEBI |
| (−)-bestatin hydrochloride | ChEBI |
| bestatin (hydrochloride) | ChEBI |
| bestatin monohydrochloride | ChEBI |
| N-[(2S,3R)-3-amino-2-hydroxy-1-oxo-4-phenylbutyl]-L-Leucine monohydrochloride | CAS |
| Manual Xrefs | Databases |
|---|---|
| 10131731 | ChemSpider |
| DBSALT002908 | DrugBank Salts |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4628066 | Reaxys |
| CAS:65391-42-6 | CAS |
| Citations |
|---|