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L-Alanyl-L-proline

CAT: 0572-TRC-A511340-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A511340-250MGSize:250 mg
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CAS Number
13485-59-1
Synonyms
L-Proline, L-alanyl-; L-Proline, 1-L-alanyl-; Proline, 1-L-alanyl- (7CI); Proline, 1-L-alanyl-, L- (8CI); L-Alanyl-L-proline; 101: PN: US20070066537 PAGE: 17 claimed protein; 12: PN: WO2014170713 SEQID: 112 claimed protein; 150: PN: EP2161028 PAGE: 10 claimed protein; 443: PN: WO2005081628 SEQID: 445 claimed protein; 76: PN: WO2011146121 PAGE: 115 claimed sequence; Alanylproline; L-α-Alanyl-L-proline; N-Alanylproline; NSC 97932
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
C[C@H](N)C(=O)N1CCC[C@H]1C(=O)O
Molecular Formula
C8 H14 N2 O3
Molecular Weight
186.21
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
Additionnal Information
IUPAC name: (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

L-Alanyl-L-proline

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 is functionally related to a L-alanine and a L-proline. It is a tautomer of an Ala-Pro zwitterion.

CAS Number13485-59-1
PubChem CID83525
IUPAC Name(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC8H14N2O3
Molecular Weight186.21
XLogP-2.7
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity229
SMILES
C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N
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
InChIKey
WPWUFUBLGADILS-WDSKDSINSA-N
Chemical Structure
2D Structure
2D structure of L-Alanyl-L-proline
CAS: 13485-59-1
CID: 83525
Formula: C8H14N2O3
MW: 186.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight186.21
XLogP3-2.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass186.10044231
Monoisotopic Mass186.10044231
Topological Polar Surface Area83.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity229
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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