5-(2H-imidazol-2-ylmethylamino)-2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]carbonyl-pentanoic acid

Systemtic Name: 5-(2H-imidazol-2-ylmethylamino)-2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]carbonyl-pentanoic acid Openeye Name: 5-(2H-imidazol-2-ylmethylamino)-2-[4-[(2-pyridylmethylamino)methyl]benzoyl]pentanoic acid CAS Name: 5-(2H-imidazol-2-ylmethylamino)-2-[oxo-[4-[(2-pyridinylmethylamino)methyl]phenyl]methyl]pentanoic acid IUPAC Name: 5-(2H-imidazol-2-ylmethylamino)-2-[4-[(pyridin-2-ylmethylamino)methyl]benzoyl]pentanoic acid Traditional Name: 5-(2H-imidazol-2-ylmethylamino)-2-[4-[(2-pyridylmethylamino)methyl]benzoyl]valeric acid Formula: C23H27N5O3 MolecularWeight: 421.49218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNCC2=CC=C(C=C2)C(=O)C(CCCNCC3N=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CNCC2=CC=C(C=C2)C(=O)C(CCCNCC3N=CC=N3)C(=O)O

InChI

InChI=1S/C23H27N5O3/c29-22(20(23(30)31)5-3-10-24-16-21-27-12-13-28-21)18-8-6-17(7-9-18)14-25-15-19-4-1-2-11-26-19/h1-2,4,6-9,11-13,20-21,24-25H,3,5,10,14-16H2,(H,30,31)