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

Systemtic Name: 5-(1H-imidazol-2-ylmethylamino)-2-[[4-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]carbonylamino]pentanoic acid Openeye Name: 5-(1H-imidazol-2-ylmethylamino)-2-[[4-[(1H-imidazol-2-ylmethylamino)methyl]benzoyl]amino]pentanoic acid CAS Name: 5-(1H-imidazol-2-ylmethylamino)-2-[[[4-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-(1H-imidazol-2-ylmethylamino)-2-[[4-[(1H-imidazol-2-ylmethylamino)methyl]benzoyl]amino]pentanoic acid Traditional Name: 5-(1H-imidazol-2-ylmethylamino)-2-[[4-[(1H-imidazol-2-ylmethylamino)methyl]benzoyl]amino]valeric acid Formula: C21H27N7O3 MolecularWeight: 425.48418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCC2=NC=CN2)C(=O)NC(CCCNCC3=NC=CN3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNCC2=NC=CN2)C(=O)NC(CCCNCC3=NC=CN3)C(=O)O

InChI

InChI=1S/C21H27N7O3/c29-20(16-5-3-15(4-6-16)12-23-14-19-26-10-11-27-19)28-17(21(30)31)2-1-7-22-13-18-24-8-9-25-18/h3-6,8-11,17,22-23H,1-2,7,12-14H2,(H,24,25)(H,26,27)(H,28,29)(H,30,31)