(2S)-2-[[4-(1H-imidazol-5-ylmethylamino)-2-naphthalen-1-yl-phenyl]carbonylamino]-4-methyl-pentanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (2S)-2-[[4-(1H-imidazol-5-ylmethylamino)-2-naphthalen-1-yl-phenyl]carbonylamino]-4-methyl-pentanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (2S)-2-[[4-(1H-imidazol-5-ylmethylamino)-2-(1-naphthyl)benzoyl]amino]-4-methyl-pentanoic acid; 2,2,2-trifluoroacetic acid CAS Name: (2S)-2-[[[4-(1H-imidazol-5-ylmethylamino)-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: (2S)-2-[[4-(1H-imidazol-5-ylmethylamino)-2-naphthalen-1-ylbenzoyl]amino]-4-methylpentanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: (2S)-2-[[4-(1H-imidazol-5-ylmethylamino)-2-(1-naphthyl)benzoyl]amino]-4-methyl-valeric acid; 2,2,2-trifluoroacetic acid Formula: C29H29F3N4O5 MolecularWeight: 570.55957

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C3=CC=CC4=CC=CC=C43.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C3=CC=CC4=CC=CC=C43.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C27H28N4O3.C2HF3O2/c1-17(2)12-25(27(33)34)31-26(32)23-11-10-19(29-15-20-14-28-16-30-20)13-24(23)22-9-5-7-18-6-3-4-8-21(18)22;3-2(4,5)1(6)7/h3-11,13-14,16-17,25,29H,12,15H2,1-2H3,(H,28,30)(H,31,32)(H,33,34);(H,6,7)/t25-;/m0./s1