CHEMBL3251687
AlkaPlorer ID: AK046746
Synonym: 'CHEMBL3251687'
IUPAC Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-3-methylbutanoic acid
Structure
SMILES: CC(C)[C@H](N=C(O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)O
InChI: InChI=1S/C15H22N2O4/c1-9(2)12(15(20)21)17-14(19)13(18)11(16)8-10-6-4-3-5-7-10/h3-7,9,11-13,18H,8,16H2,1-2H3,(H,17,19)(H,20,21)/t11-,12+,13+/m1/s1
InChIKey: IOLCPXVWFDHENH-AGIUHOORSA-N
Reference
Bestatin Analogue from<i>Streptomyces neyagawaensis</i>SL-387
PubChem CID: 25145859
LOTUS: LTS0232262
SuperNatural Ⅲ: SN0150982-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces neyagawaensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 294.35100000000006
TPSA？: 116.14
MolLogP？: 0.9829999999999994
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Aminopeptidase B | IC50 | 0.55 | ug.mL-1 | 10.1021/jm00214a010 |
| None | No relevant target | Rf | 0.42 | None | 10.1021/jm00214a010 |