3-cyclohexyl-2-[[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-2-[[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-phenyl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-2-[[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-benzoyl]amino]propanoic acid CAS Name: 3-cyclohexyl-2-[[[4-(1H-imidazol-5-ylmethylamino)-2-phenylphenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-2-[[4-(1H-imidazol-5-ylmethylamino)-2-phenylbenzoyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-2-[[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-benzoyl]amino]propionic acid Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)O)NC(=O)C2=C(C=C(C=C2)NCC3=CN=CN3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CC(C(=O)O)NC(=O)C2=C(C=C(C=C2)NCC3=CN=CN3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c31-25(30-24(26(32)33)13-18-7-3-1-4-8-18)22-12-11-20(28-16-21-15-27-17-29-21)14-23(22)19-9-5-2-6-10-19/h2,5-6,9-12,14-15,17-18,24,28H,1,3-4,7-8,13,16H2,(H,27,29)(H,30,31)(H,32,33)