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RNase A

CAT: 1489-R8020-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1489-R8020-02Size:100 mg
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CAS Number
9001-99-4

Chemical Information

Beta-Alanylhistidine

See also: Malate Dehydrogenase (annotation moved to); Carnosine (annotation moved to); Malate dehydrogenase (NAD) (annotation moved to) ... View More ...

CAS Number9001-99-4
PubChem CID9369
IUPAC Name2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
Molecular FormulaC9H14N4O3
Molecular Weight226.23
XLogP-4
Topological Polar Surface Area121
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity259
SMILES
C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN
InChI
InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Beta-Alanylhistidine
CAS: 9001-99-4
CID: 9369
Formula: C9H14N4O3
MW: 226.23
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight226.23
XLogP3-4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass226.10659032
Monoisotopic Mass226.10659032
Topological Polar Surface Area121 Ų
Heavy Atom Count16
Formal Charge0
Complexity259
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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