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

Systemtic Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2,5-diphenyl-phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2,5-diphenyl-benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[4-(1H-imidazol-5-ylmethylamino)-2,5-diphenylphenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2,5-diphenylbenzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2,5-diphenyl-benzoyl]amino]-4-methyl-valeric acid Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C(=C1)C2=CC=CC=C2)NCC3=CN=CN3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C(=C1)C2=CC=CC=C2)NCC3=CN=CN3)C4=CC=CC=C4

InChI

InChI=1S/C29H30N4O3/c1-19(2)13-27(29(35)36)33-28(34)25-14-24(21-11-7-4-8-12-21)26(31-17-22-16-30-18-32-22)15-23(25)20-9-5-3-6-10-20/h3-12,14-16,18-19,27,31H,13,17H2,1-2H3,(H,30,32)(H,33,34)(H,35,36)