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3303-31-9 molecular structure
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(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-methylpentanoic acid

ChemBase ID: 109044
Molecular Formular: C12H24N2O3
Molecular Mass: 244.33056
Monoisotopic Mass: 244.17869264
SMILES and InChIs

SMILES:
CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)O
Canonical SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)N)C
InChI:
InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t9-,10-/m0/s1
InChIKey:
LCPYQJIKPJDLLB-UWVGGRQHSA-N

Cite this record

CBID:109044 http://www.chembase.cn/molecule-109044.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-methylpentanoic acid
IUPAC Traditional name
leucyl-leucine
Synonyms
L-LEUCYL-L-LEUCINE
Leu-Leu
CAS Number
3303-31-9
EC Number
221-976-6
MDL Number
MFCD00065185
PubChem SID
162094653
24896323
PubChem CID
76807

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 76807 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.1105795  H Acceptors
H Donor LogD (pH = 5.5) -0.8806917 
LogD (pH = 7.4) -0.90237457  Log P -0.8719565 
Molar Refractivity 65.1419 cm3 Polarizability 26.099276 Å3
Polar Surface Area 92.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C12H24N2O3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05209621 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - L2752 external link
Amino Acid Sequence
Leu-Leu
Biochem/physiol Actions
Leucylleucine (Leu-Leu) may be used to study the functionality of dileucine motifs such as the motif responsible for internalization and targeting of vesicular acetylcholine transporter and clathrin adaptors AP-1 and AP-2.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. L2752.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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