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

Systemtic Name: bis(phenylmethyl) 5-[[(2S)-2-[[6-(1-adamantylmethylcarbamoyl)-1-methyl-indol-5-yl]carbonylamino]-3-phenyl-propanoyl]amino]benzene-1,3-dicarboxylate Openeye Name: dibenzyl 5-[[(2S)-2-[[6-(1-adamantylmethylcarbamoyl)-1-methyl-indole-5-carbonyl]amino]-3-phenyl-propanoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2S)-2-[[[6-[(1-adamantylmethylamino)-oxomethyl]-1-methyl-5-indolyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]benzene-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 5-[[(2S)-2-[[6-(1-adamantylmethylcarbamoyl)-1-methylindole-5-carbonyl]amino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(2S)-2-[[6-(1-adamantylmethylcarbamoyl)-1-methyl-indole-5-carbonyl]amino]-3-phenyl-propanoyl]amino]benzene-1,3-dicarboxylic acid dibenzyl ester Formula: C53H52N4O7 MolecularWeight: 857.00258

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=CC(=C(C=C21)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=CC2=CC(=C(C=C21)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/C53H52N4O7/c1-57-18-17-40-26-44(45(27-47(40)57)48(58)54-33-53-28-37-19-38(29-53)21-39(20-37)30-53)49(59)56-46(22-34-11-5-2-6-12-34)50(60)55-43-24-41(51(61)63-31-35-13-7-3-8-14-35)23-42(25-43)52(62)64-32-36-15-9-4-10-16-36/h2-18,23-27,37-39,46H,19-22,28-33H2,1H3,(H,54,58)(H,55,60)(H,56,59)/t37?,38?,39?,46-,53?/m0/s1