histidinoalanine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 81
Total Number of Articles : 80
PubChem 101180
Molecular Formula

C9H14N4O3

SMILES

C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CN=CN1)N

InChI

InChI=1S/C9H14N4O3/c1-5(9(15)16)13-8(14)7(10)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

synonyms
  • 16874-75-2
  • His-ala
  • H-His-Ala-OH
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Properties
Property Value
MW 226.23 g/mol
HBD 4
HBA 5
Rotatable Bond Count 5
Exact Mass 226.10659032 g/mol
Monoisotopic Mass 226.10659032 g/mol
Heavy Atom Count 16
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 271
xlogp -3.5
Topological Polar Surface Area 121