bis(phenylmethyl) 5-[[(2S)-2-[[6-(1-adamantylmethylcarbamoyl)-3-methyl-benzimidazol-5-yl]carbonylamino]-3-phenyl-propanoyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: bis(phenylmethyl) 5-[[(2S)-2-[[6-(1-adamantylmethylcarbamoyl)-3-methyl-benzimidazol-5-yl]carbonylamino]-3-phenyl-propanoyl]amino]benzene-1,3-dicarboxylate Openeye Name: dibenzyl 5-[[(2S)-2-[[6-(1-adamantylmethylcarbamoyl)-3-methyl-benzimidazole-5-carbonyl]amino]-3-phenyl-propanoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2S)-2-[[[6-[(1-adamantylmethylamino)-oxomethyl]-3-methyl-5-benzimidazolyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]benzene-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 5-[[(2S)-2-[[6-(1-adamantylmethylcarbamoyl)-3-methylbenzimidazole-5-carbonyl]amino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(2S)-2-[[6-(1-adamantylmethylcarbamoyl)-3-methyl-benzimidazole-5-carbonyl]amino]-3-phenyl-propanoyl]amino]benzene-1,3-dicarboxylic acid dibenzyl ester Formula: C52H51N5O7 MolecularWeight: 857.99064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C=C(C(=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(=O)NC(CC6=CC=CC=C6)C(=O)NC7=CC(=CC(=C7)C(=O)OCC8=CC=CC=C8)C(=O)OCC9=CC=CC=C9

Isomeric SMILES

CN1C=NC2=C1C=C(C(=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)NC7=CC(=CC(=C7)C(=O)OCC8=CC=CC=C8)C(=O)OCC9=CC=CC=C9

InChI

InChI=1S/C52H51N5O7/c1-57-32-54-44-24-42(47(58)53-31-52-26-36-17-37(27-52)19-38(18-36)28-52)43(25-46(44)57)48(59)56-45(20-33-11-5-2-6-12-33)49(60)55-41-22-39(50(61)63-29-34-13-7-3-8-14-34)21-40(23-41)51(62)64-30-35-15-9-4-10-16-35/h2-16,21-25,32,36-38,45H,17-20,26-31H2,1H3,(H,53,58)(H,55,60)(H,56,59)/t36?,37?,38?,45-,52?/m0/s1