(2S)-2-[[2-(1H-imidazol-5-ylmethylamino)-6-phenyl-phenyl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[2-(1H-imidazol-5-ylmethylamino)-6-phenyl-phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[2-(1H-imidazol-5-ylmethylamino)-6-phenyl-benzoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[2-(1H-imidazol-5-ylmethylamino)-6-phenylphenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[2-(1H-imidazol-5-ylmethylamino)-6-phenylbenzoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[2-(1H-imidazol-5-ylmethylamino)-6-phenyl-benzoyl]amino]-4-methyl-valeric acid Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C=CC=C1NCC2=CN=CN2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C1=C(C=CC=C1NCC2=CN=CN2)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O3/c1-15(2)11-20(23(29)30)27-22(28)21-18(16-7-4-3-5-8-16)9-6-10-19(21)25-13-17-12-24-14-26-17/h3-10,12,14-15,20,25H,11,13H2,1-2H3,(H,24,26)(H,27,28)(H,29,30)/t20-/m0/s1