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

Systemtic Name: 3-cyclohexyl-2-[[4-(1H-imidazol-5-ylmethylamino)-2-naphthalen-1-yl-phenyl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-2-[[4-(1H-imidazol-5-ylmethylamino)-2-(1-naphthyl)benzoyl]amino]propanoic acid CAS Name: 3-cyclohexyl-2-[[[4-(1H-imidazol-5-ylmethylamino)-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-2-[[4-(1H-imidazol-5-ylmethylamino)-2-naphthalen-1-ylbenzoyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-2-[[4-(1H-imidazol-5-ylmethylamino)-2-(1-naphthyl)benzoyl]amino]propionic acid Formula: C30H32N4O3 MolecularWeight: 496.60008

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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=CC5=CC=CC=C54

Isomeric SMILES

C1CCC(CC1)CC(C(=O)O)NC(=O)C2=C(C=C(C=C2)NCC3=CN=CN3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C30H32N4O3/c35-29(34-28(30(36)37)15-20-7-2-1-3-8-20)26-14-13-22(32-18-23-17-31-19-33-23)16-27(26)25-12-6-10-21-9-4-5-11-24(21)25/h4-6,9-14,16-17,19-20,28,32H,1-3,7-8,15,18H2,(H,31,33)(H,34,35)(H,36,37)