(2s)-2-benzamido-3-phenylpropanoic acid (CED0145549)

Record Information
Version1.0
Creation Date2026-08-19 15:16:38 UTC
Update Date2026-08-19 15:16:38 UTC
Accession NumberCHEM188305
Identification
Common Name(2s)-2-benzamido-3-phenylpropanoic acid
ClassSmall Molecule
Description
(2s)-2-benzamido-3-phenylpropanoic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C16H15NO3 and an average molecular weight of 269.29 g/mol. It is further classified under the superclass of organic acids and derivatives.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC16H15NO3
Average Molecular Mass269.290 g/mol
Monoisotopic Mass269.105 g/mol
CAS Registry Number2566-22-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C16H15NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)(H,19,20)/t14-/m0/s1
InChI KeyNPKISZUVEBESJI-AWEZNQCLSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2201.0Log mg/kg[1200:3900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureCytosol aminopeptidaseP28839Sus scrofaPredicted (SEA)4.7488
Click to view 3D structurePeptidylglycine alpha-amidating monooxygenaseP14925Rattus norvegicusPredicted (SEA)23.6662
Cruzipain structureClick to view 3D structureCruzipainP25779Trypanosoma cruziPredicted (SEA)50.7577
Click to view 3D structurePeptidyl-glycine alpha-amidating monooxygenaseP19021HumansPredicted (SEA)20.63
Click to view 3D structureProtein-glutamine gamma-glutamyltransferaseQ7M0F8Cavia porcellusPredicted (SEA)2.17978
Leukotriene A-4 hydrolase structureClick to view 3D structureLeukotriene A-4 hydrolaseP09960HumansPredicted (SEA)38.0683
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)92.5627
Endothelin-converting enzyme 1 structureClick to view 3D structureEndothelin-converting enzyme 1P42892HumansPredicted (SEA)41.8829
Click to view 3D structureCytosol aminopeptidaseP00727Bos taurusPredicted (SEA)36.8227
Click to view 3D structureMast cell carboxypeptidase AP15088HumansPredicted (SEA)0.934191
Click to view 3D structureCarboxypeptidase A1P00730Bos taurusPredicted (SEA)0.622794
Carboxypeptidase A1 structureClick to view 3D structureCarboxypeptidase A1P15085HumansPredicted (SEA)4.35956
Click to view 3D structureCytosol aminopeptidaseP28838HumansPredicted (SEA)12.6894
Neprilysin structureClick to view 3D structureNeprilysinP08473HumansPredicted (SEA)25.0674
Click to view 3D structureNeprilysinP08049Oryctolagus cuniculusPredicted (SEA)31.1397
Click to view 3D structureNeprilysinP07861Rattus norvegicusPredicted (SEA)25.5345
Serine racemase structureClick to view 3D structureSerine racemaseQ9GZT4HumansPredicted (SEA)3.73676
Solute carrier family 15 member 1 structureClick to view 3D structureSolute carrier family 15 member 1P46059HumansPredicted (SEA)12.8451
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP15144HumansPredicted (SEA)49.6678
Endoplasmic reticulum aminopeptidase 2 structureClick to view 3D structureEndoplasmic reticulum aminopeptidase 2Q6P179HumansPredicted (SEA)32.541
Angiotensin-converting enzyme structureClick to view 3D structureAngiotensin-converting enzymeP12821HumansPredicted (SEA)58.6205
Click to view 3D structureAminopeptidase BO09175Rattus norvegicusPredicted (SEA)5.99439
Click to view 3D structureAngiotensin-converting enzymeP12822Oryctolagus cuniculusPredicted (SEA)29.1156
Click to view 3D structureNeprilysinQ61391Mus musculusPredicted (SEA)26.3909
Click to view 3D structureAminopeptidase NP15145Sus scrofaPredicted (SEA)35.8106
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available