hippuryl-histidyl-leucine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 16
Total Number of Articles : 71
PubChem 94418
Molecular Formula

C21H27N5O5

SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H27N5O5/c1-13(2)8-17(21(30)31)26-20(29)16(9-15-10-22-12-24-15)25-18(27)11-23-19(28)14-6-4-3-5-7-14/h3-7,10,12-13,16-17H,8-9,11H2,1-2H3,(H,22,24)(H,23,28)(H,25,27)(H,26,29)(H,30,31)/t16-,17-/m0/s1

synonyms
  • 31373-65-6
  • Hippuryl-histidyl-leucine
  • Hippuryl-L-histidyl-L-leucine
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Properties
Property Value
MW 429.5 g/mol
HBD 5
HBA 6
Rotatable Bond Count 11
Exact Mass 429.20121898 g/mol
Monoisotopic Mass 429.20121898 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 636
xlogp 1.4
Topological Polar Surface Area 153