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

Systemtic Name: 2-[[4-[(1H-imidazol-5-ylmethylamino)methyl]-2-naphthalen-1-yl-phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-[(1H-imidazol-5-ylmethylamino)methyl]-2-(1-naphthyl)benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[4-[(1H-imidazol-5-ylmethylamino)methyl]-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-[(1H-imidazol-5-ylmethylamino)methyl]-2-naphthalen-1-ylbenzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-[(1H-imidazol-5-ylmethylamino)methyl]-2-(1-naphthyl)benzoyl]amino]-4-methyl-valeric acid Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CNCC2=CN=CN2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CNCC2=CN=CN2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H30N4O3/c1-18(2)12-26(28(34)35)32-27(33)24-11-10-19(14-29-15-21-16-30-17-31-21)13-25(24)23-9-5-7-20-6-3-4-8-22(20)23/h3-11,13,16-18,26,29H,12,14-15H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)