Phenylalanylphenylalanine
Basic information
- CAS
2577-40-4- Standard SMILES
NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O- InChIKey
GKZIWHRNKRBEOH-UHFFFAOYSA-N- Molecular formula
- C18H20N2O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.1473925
Overview
RN given refers to (L,L)-isomer
Names & identifiers
- Preferred name
- Phenylalanylphenylalanine
- IUPAC
- 2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoic acid
- English name
- H-Phe-Phe-OH
- Molecular formula
- C18H20N2O3
- Molecular weight
- 312.36
Names & synonyms
PhenylalanylphenylalanineRefChem:929053diphenylalanine peptide (FF)L-Phe-L-Phe201023-39-42-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoic acidPhe-Phe-OHN-(2-amino-3-phenylpropanoyl)phenylalanine3-Phenyl-N-(3-phenyl-L-alanyl)-L-alanineSCHEMBL13295672-(2-amino-3-phenylpropanamido)-3-phenylpropanoic acidGKZIWHRNKRBEOH-UHFFFAOYSA-N
Show more names
PHE-PHEL-PHENYLALANYL-L-PHENYLALANINEDI-L-PHENYLALANINEL-phenylalanine-L-phenylalanineL-Phenylalanyl-L-phenylalanine, Di-L-phenylalanineNSC 5761NSC-5761
FFEINECS 219-930-5NSC522622NSC524136AKOS022145808NSC 524136NSC-522622NSC-524136
Database identifiers
- CAS
2577-40-4- PubChem CID
- 65104
- Nikkaji
- J3.601.987E
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Melting point
- 288 · 288-290℃
- Boiling point
- 582.8 · 582.8±50.0 °C(Predicted)
- Density
- 1.229 · 1.229±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 50 mg/ml · Soluble at 50mg/ml in 80% acetic acid
- form
- Powder
- pka
- 3.41 · 3.41±0.10(Predicted)
- color
- White to Off-white
- Stability
- Hygroscopic
- InChI
- 1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)/t15-,16-/m0/s1
- InChIKey
- GKZIWHRNKRBEOH-HOTGVXAUSA-N
- SMILES
- N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(O)=O
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 26 · NA.26
- Symbol(GHS)
- 7 · GHS07
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2924.29.7790
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesH-PHE-PHE-OH (cas# 2577-40-4) is used in the method and kit for assessing prognosis or risk of breast cancer using metabolic profiling.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: A dipeptide formed from two L-phenylalanine residues.
Suppliers
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Related reactions
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Compound notes
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