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

Systemtic Name: methyl 3-cyclohexyl-2-[[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-phenyl]carbonylamino]propanoate Openeye Name: methyl 3-cyclohexyl-2-[[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-benzoyl]amino]propanoate CAS Name: 3-cyclohexyl-2-[[[4-(1H-imidazol-5-ylmethylamino)-2-phenylphenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-cyclohexyl-2-[[4-(1H-imidazol-5-ylmethylamino)-2-phenylbenzoyl]amino]propanoate Traditional Name: 3-cyclohexyl-2-[[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-benzoyl]amino]propionic acid methyl ester Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1CCCCC1)NC(=O)C2=C(C=C(C=C2)NCC3=CN=CN3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1CCCCC1)NC(=O)C2=C(C=C(C=C2)NCC3=CN=CN3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3/c1-34-27(33)25(14-19-8-4-2-5-9-19)31-26(32)23-13-12-21(29-17-22-16-28-18-30-22)15-24(23)20-10-6-3-7-11-20/h3,6-7,10-13,15-16,18-19,25,29H,2,4-5,8-9,14,17H2,1H3,(H,28,30)(H,31,32)