2-(1-carboxy-2-(3-(3,5-dichlorobenzyl)-3H-imidazol-4-yl)ethylamino)-4-methylpentanoic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 16
Total Number of Articles : 32
PubChem 448281
Molecular Formula

C19H23Cl2N3O4

SMILES

CC(C)C[C@@H](C(=O)O)N[C@@H](CC1=CN=CN1CC2=CC(=CC(=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C19H23Cl2N3O4/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28)/t16-,17-/m0/s1

synonyms
  • MLN-4760
  • 305335-31-3
  • MLN4760
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Properties
Property Value
MW 428.3 g/mol
HBD 3
HBA 6
Rotatable Bond Count 10
Exact Mass 427.1065616 g/mol
Monoisotopic Mass 427.1065616 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 527
xlogp 1.4
Topological Polar Surface Area 104