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L-Alanyl-L-proline

CAS：13485-59-1
MW:186.20836
MF：C8H14N2O3

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: L-Alanyl-L-proline

1.2 Synonyms: (S)-1-((S)-2-Aminopropanoyl)pyrrolidine-2-carboxylic acid; 1-L-alanyl-L-proline; Ala-L-Pro-OH; ALANINE-PROLINE; alanylproline; alanylproline hydrochloride; ALA-PRO; Ala-Pro hydrate; Ala-Pro-OH; Amino Acid Impurity 40; EINECS 236-795-8; H-ALA-PRO-OH; L-Ala-L-pro; L-Ala-L-Pro-OH; L-ALA-PRO H2O; L-Ala-Pro-OH; L-Proline, L-alanyl-; MFCD00037332;

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1.3 CAS No.: 13485-59-1

1.4 CID: 83525

1.5 EINECS: 236-795-8

1.6 Molecular Formula: C8H14N2O3

1.7 Inchi: InChI=1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)/t5-,6-/m0/s1

1.8 InChkey: WPWUFUBLGADILS-WDSKDSINSA-N

1.9 Canonical Smiles: CC(C(=O)N1CCCC1C(=O)O)N

1.10 Isomers Smiles: C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N

2. Properties

2.1 Appearance: White to Almost white powder to crystal

2.2 Storage: ?20°C

2.3 pKa: 3.19±0.20(Predicted)

2.4 Water Solubility: within almost transparency

2.5 StorageTemp: -20°C

3. Use and Manufacturing

3.1 Definition: ChEBI: A dipeptide composed of L-alanine and L-proline joined by a peptide linkage. L-Alanyl-L-proline Preparation Products And Raw materials Preparation Products

3.2 Description

ChEBI: A dipeptide composed of L-alanine and L-proline joined by a peptide linkage.

Solid

Ala-Pro is a dipeptide composed of L-alanine and L-proline joined by a peptide linkage. It has a role as a metabolite. It derives from a L-alanine and a L-proline. It is a tautomer of an Ala-Pro zwitterion.

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4. Safety and Handling

4.1 Safety: Safety Information of L-Proline, L-alanyl- (CAS No. 13485-59-1):
WGK Germany: 3
F: 10-21

4.2 Specification: L-Proline, L-alanyl- with cas registry number of 13485-59-1 is also called Alanylproline ; NSC 97932 ; 1-L-Alanyl-L-proline ; L-Alanyl-L-proline .

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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6. Synthesis Route

13485-59-1Total: 10 Synthesis Route

147-85-3 620 Suppliers

13485-59-1 67 Suppliers

2577-48-2 6 Suppliers

13485-59-1 67 Suppliers

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7. Precursor and Product

precursor:

147-85-3

33305-75-8

2224-52-4

186023-44-9

21027-01-0

118-31-0

76166-63-7

76391-12-3

2577-48-2

33300-72-0

product:

75847-73-3

90105-47-8

76420-74-1

63769-98-2

8. Computed Properties

Molecular Weight：186.20836g/mol
Molecular Formula：C₈H₁₄N₂O₃
Compound Is Canonicalized：True
XLogP3-AA：186.10044231
Monoisotopic Mass：186.10044231
Complexity：229
Rotatable Bond Count：2
Hydrogen Bond Donor Count：2
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：83.6
Heavy Atom Count：：13
Defined Atom Stereocenter Count：2
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQCCANAAgAIAAGQGAAAAAAAAAAAAIGIAAACQBIAgCAUQAAEFgCQAACYEQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9.Other Information

BRN: 3546017

Definition: ChEBI: A dipeptide composed of L-alanine and L-proline joined by a peptide linkage.

Biochem/physiol Actions: Alanyl dipeptides such as ala-leu, ala-lys, ala-gly, ala-pro, ala-tyr and ala-phe may be used in physicochemical studies or to evaluate dipeptide separation technologies. Alanyl dipeptides may also be used for studying cell uptake mechanisms, dipeptide metabolism or cell growth supplementation benefits.

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