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H-Ala-Asp-OH

CAT: 0572-TRC-A576320-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A576320-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20727-65-5
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O
Molecular Formula
C7H12N2O5
Molecular Weight
204.18
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Ala-Asp

Ala-Asp is a dipeptide formed from L-alanyl and L-aspartic acid residues. It has a role as a metabolite. It is a conjugate acid of an Ala-Asp(1-).

CAS Number20727-65-5
PubChem CID99719
IUPAC Name(2S)-2-[[(2S)-2-aminopropanoyl]amino]butanedioic acid
Molecular FormulaC7H12N2O5
Molecular Weight204.18
XLogP-4.1
Topological Polar Surface Area130
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity252
SMILES
C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N
InChI
InChI=1S/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t3-,4-/m0/s1
InChIKey
XAEWTDMGFGHWFK-IMJSIDKUSA-N
Chemical Structure
2D Structure
2D structure of Ala-Asp
CAS: 20727-65-5
CID: 99719
Formula: C7H12N2O5
MW: 204.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.18
XLogP3-4.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass204.07462149
Monoisotopic Mass204.07462149
Topological Polar Surface Area130 Ų
Heavy Atom Count14
Formal Charge0
Complexity252
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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