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Phenylalanylphenylalanylamide , CAS No.15893-46-6
Basic Description
Synonyms
Phenylalanylphenylalanylamide | H-Phe-Phe-NH2 | L-Phenylalaninamide, L-phenylalanyl- | Phe-phe-amide | (S)-2-amino-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide | L-Phe-L-phe-amide | l-phenylalanyl-l-phenylalaninamide | L-Phenylalanine-L-p
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Peptides
Direct Parent
Dipeptides
Alternative Parents
Phenylalanine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives Aralkylamines Fatty amides Secondary carboxylic acid amides Primary carboxylic acid amides Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-dipeptide - Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Aralkylamine - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Fatty amide - Amino acid or derivatives - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
INCHI
InChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)18(23)21-16(17(20)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H2,20,22)(H,21,23)/t15-,16-/m0/s1
InChIKey
XXPXQEQOAZMUDD-HOTGVXAUSA-N
Smiles
C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)N)N
Isomeric SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)N
PubChem CID
85169
Molecular Weight
311.4
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
311.400 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
7
Exact Mass
311.163 Da
Monoisotopic Mass
311.163 Da
Topological Polar Surface Area
98.200 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
388.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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