Compound Summary
Bestatin hydrochloride
Compound Information
Bestatin hydrochloride
Compound Name: | Bestatin hydrochloride |
Compound CID: | 11957481 |
Synonyms: | Bestatin hydrochloride 65391-42-6 Ubenimex HCl Bestatin (hydrochloride) BESTATIN HCL More... |
Iupac Name: | (2S)-2-[[(2S,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-UDYGKFQRSA-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
Bestatin 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
Bestatin hydrochloride
| Bestatin hydrochloride | Bestatin hydrochloride |
|---|---|
Bestatin hydrochloride |
65391-42-6 |
Ubenimex HCl |
Bestatin (hydrochloride) |
BESTATIN HCL |
N-(2S,3R)-3-Amino-2-hydroxy-4-phenylbutyryl-L-leucine hydrochloride |
MFCD00058004 |
(S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-4-methylpentanoic acid hydrochloride |
Ubenimex hydrochloride |
65391-42-6 (HCl) |
((2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl)-L-leucine hydrochloride |
(2S)-2-(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoylamino-4-methylpentanoic acid;hydrochloride |
SR-01000075724 |
NCGC00093685-01 |
Bestatin monohydrochloride |
Bestatin hydrochloride- Bio-X |
C16H24N2O4.HCl |
CHEMBL538595 |
SCHEMBL3880484 |
HY-B0134A |
CHEBI:180575 |
Tox21_500214 |
AKOS030526173 |
CCG-207863 |
CS-1911 |
LP00214 |
Bestatin hydrochloride, >=98% (HPLC) |
NCGC00260899-01 |
AS-57675 |
BB164242 |
AB0020587 |
B4000 |
EU-0100214 |
V1527 |
B 8385 |
B-2270 |
H11007 |
M01391 |
A914271 |
SR-01000075724-1 |
SR-01000075724-2 |
SR-01000075724-6 |
Bestatin, (2S,3R)-3-Amino-2-hydroxy-4-phenylbutanoyl-L-leucine hydrochloride |
(2S)-2-(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido-4-methylpentanoic acid hydrochloride |
Experimental Data
Bestatin 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 | -10.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Bestatin hydrochloride
Statistics Data
Bestatin hydrochloride
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -10.000000000000000 | 1 | 1 |
Statistics Data Visualization
Bestatin hydrochloride
