Compound Summary
Epibestatin hydrochloride
Compound Information
Epibestatin hydrochloride
Compound Name: | Epibestatin hydrochloride |
Compound CID: | 11957538 |
Synonyms: | Epibestatin hydrochloride 100992-60-7 (2S)-2-(2R,3R)-3-Amino-2-hydroxy-4-phenylbutanoylamino-4-methylpentanoic acid;hydrochloride Epibestatin HCl EU-0100469 More... |
Iupac Name: | (2S)-2-[[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid;hydrochloride |
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-FPFZOWOXSA-N |
Canonical Smiles: | CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=CC=C1)N)O.Cl |
Isomeric Smiles: | CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](CC1=CC=CC=C1)N)O.Cl |
Molecular Weight: | 344.8 |
Molecular Formula: | C16H25ClN2O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Epibestatin hydrochloride
Molecular Weight: | 344.8 |
Molecular Formula: | C16H25ClN2O4 |
Hydrogen Bond Donor Count: | 5 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 23 |
Complexity: | 367 |
Synonyms
Epibestatin hydrochloride
| Epibestatin hydrochloride | Epibestatin hydrochloride |
|---|---|
Epibestatin hydrochloride |
100992-60-7 |
(2S)-2-(2R,3R)-3-Amino-2-hydroxy-4-phenylbutanoylamino-4-methylpentanoic acid;hydrochloride |
Epibestatin HCl |
EU-0100469 |
CHEMBL1257100 |
DTXSID001016925 |
Tox21_500469 |
CCG-221773 |
LP00469 |
NCGC00093881-01 |
NCGC00261154-01 |
E 0381 |
SR-01000075849 |
SR-01000075849-1 |
(2R,3R-3-Amino-2-hydroxy-4-phenylbutanoyl)-L-leucine hydrochloride |
(S)-2-((2R,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-4-methylpentanoic acid hydrochloride |
Experimental Data
Epibestatin hydrochloride
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -2.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Epibestatin hydrochloride
Statistics Data
Epibestatin hydrochloride
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -2.000000000000000 | 1 | 1 |
Statistics Data Visualization
Epibestatin hydrochloride
