5-(1H-imidazol-2-ylmethylamino)-2-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]carbonylamino]pentanoic acid

Systemtic Name: 5-(1H-imidazol-2-ylmethylamino)-2-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]carbonylamino]pentanoic acid Openeye Name: 5-(1H-imidazol-2-ylmethylamino)-2-[[4-[(2-pyridylmethylamino)methyl]benzoyl]amino]pentanoic acid CAS Name: 5-(1H-imidazol-2-ylmethylamino)-2-[[oxo-[4-[(2-pyridinylmethylamino)methyl]phenyl]methyl]amino]pentanoic acid IUPAC Name: 5-(1H-imidazol-2-ylmethylamino)-2-[[4-[(pyridin-2-ylmethylamino)methyl]benzoyl]amino]pentanoic acid Traditional Name: 5-(1H-imidazol-2-ylmethylamino)-2-[[4-[(2-pyridylmethylamino)methyl]benzoyl]amino]valeric acid Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNCC2=CC=C(C=C2)C(=O)NC(CCCNCC3=NC=CN3)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CNCC2=CC=C(C=C2)C(=O)NC(CCCNCC3=NC=CN3)C(=O)O

InChI

InChI=1S/C23H28N6O3/c30-22(29-20(23(31)32)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/h1-2,4,6-9,11-13,20,24-25H,3,5,10,14-16H2,(H,27,28)(H,29,30)(H,31,32)