Ile-Phe
PubChem CID
7009596
Structure
Molecular Formula
Synonyms
- H-Ile-Phe-OH
- Ile-Phe
- 22951-98-0
- Isoleucyl-Phenylalanine
- L-ISOLEUCYL-L-PHENYLALANINE
Molecular Weight
278.35 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2006-07-29
- Modify:2025-01-18
Description
Ile-Phe is a dipeptide formed from L-isoleucine and L-phenylalanine residues. It has a role as a metabolite.
Chemical Structure Depiction
SVG Image
IUPAC Condensed
H-Ile-Phe-OH
Sequence
IF
PLN
H-IF-OH
HELM
PEPTIDE1{I.F}$$$$
IUPAC
L-isoleucyl-L-phenylalanine
(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-phenylpropanoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C15H22N2O3/c1-3-10(2)13(16)14(18)17-12(15(19)20)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9,16H2,1-2H3,(H,17,18)(H,19,20)/t10-,12-,13-/m0/s1
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
WMDZARSFSMZOQO-DRZSPHRISA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C15H22N2O3
Computed by PubChem 2.1 (PubChem release 2021.05.07)
- H-Ile-Phe-OH
- Ile-Phe
- 22951-98-0
- Isoleucyl-Phenylalanine
- L-ISOLEUCYL-L-PHENYLALANINE
- L-Ile-L-Phe
- CHEBI:74075
- CHEMBL91330
- L-Phenylalanine, L-isoleucyl-
- (2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-phenylpropanoic acid
- IF dipeptide
- I-F Dipeptide
- (S)-2-((2S,3S)-2-Amino-3-methylpentanamido)-3-phenylPropanoic acid
- Isoleucine Phenylalanine dipeptide
- Isoleucine-Phenylalanine dipeptide
- (2S)-2-(((2S,3S)-2-amino-3-methylpentanoyl)amino)-3-phenylpropanoic acid
- (2S)-2-(((2S,3S)-2-azaniumyl-3-methylpentanoyl)amino)-3-phenylpropanoate
- (2S)-2-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]-3-phenylpropanoate
- 2-((2-Amino-1-hydroxy-3-methylpentylidene)amino)-3-phenylpropanoate
- 2-[(2-Amino-1-hydroxy-3-methylpentylidene)amino]-3-phenylpropanoate
- Isoleucylphenylalanine; N-L-isoleucyl-L-Phenylalanine, L-Isoleucyl-L-phenylalanine, Ile-Phe
- MFCD00037253
- L-Phenylalanine,L-isoleucyl-
- SCHEMBL3512463
- DTXSID101309816
- HY-P4637
- BDBM50407438
- AKOS010421266
- DA-64166
- CS-0655434
- Q27144388
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
278.35 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3
Property Value
-1.8
Reference
Computed by XLogP3 3.0 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
278.16304257 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
278.16304257 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
92.4 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
20
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
327
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
3
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.05.07)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=WMDZARSFSMZOQO-DRZSPHRISA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/L-Isoleucyl-L-phenylalaninehttps://commonchemistry.cas.org/detail?cas_rn=22951-98-0
- EPA DSSToxL-Isoleucyl-L-phenylalaninehttps://comptox.epa.gov/dashboard/DTXSID101309816CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- ChEBI
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- Japan Chemical Substance Dictionary (Nikkaji)
- Metabolomics Workbench
- Wikidata
- PubChem
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/LOTUS Treehttps://lotus.naturalproducts.net/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388564448https://pubchem.ncbi.nlm.nih.gov/substance/388564448
CONTENTS