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H-Ala-His-OH

CAT: 0121-4002657.0005Size: 5 gDry Ice: NoHazardous: No
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CAT#:0121-4002657.0005Size:5 g
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CAS Number
3253-17-6
Specifications
G-1245.0005
Sequence
H-Ala-His-OH
Molecular Formula
C₉H₁₄N₄O₃
Molecular Weight
226.24
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Ala-His

Ala-His is a dipeptide formed from L-alanyl and L-histidine residues. It has a role as a metabolite. It is a tautomer of an Ala-His zwitterion.

CAS Number3253-17-6
PubChem CID9837455
IUPAC Name(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Molecular FormulaC9H14N4O3
Molecular Weight226.23
XLogP-3.5
Topological Polar Surface Area121
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity271
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)N
InChI
InChI=1S/C9H14N4O3/c1-5(10)8(14)13-7(9(15)16)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,7-/m0/s1
InChIKey
XZWXFWBHYRFLEF-FSPLSTOPSA-N
Chemical Structure
2D Structure
2D structure of Ala-His
CAS: 3253-17-6
CID: 9837455
Formula: C9H14N4O3
MW: 226.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.23
XLogP3-3.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass226.10659032
Monoisotopic Mass226.10659032
Topological Polar Surface Area121 Ų
Heavy Atom Count16
Formal Charge0
Complexity271
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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