5-[[[2-(1-adamantylmethylcarbamoyl)phenyl]carbonyl-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[[2-(1-adamantylmethylcarbamoyl)phenyl]carbonyl-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[[2-(1-adamantylmethylcarbamoyl)benzoyl]-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[[[2-[(1-adamantylmethylamino)-oxomethyl]phenyl]-oxomethyl]-phenethylamino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[[2-(1-adamantylmethylcarbamoyl)benzoyl]-phenethylcarbamoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[[2-(1-adamantylmethylcarbamoyl)benzoyl]-phenethyl-carbamoyl]amino]isophthalic acid Formula: C36H37N3O7 MolecularWeight: 623.69488

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC=CC=C4C(=O)N(CCC5=CC=CC=C5)C(=O)NC6=CC(=CC(=C6)C(=O)O)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC=CC=C4C(=O)N(CCC5=CC=CC=C5)C(=O)NC6=CC(=CC(=C6)C(=O)O)C(=O)O

InChI

InChI=1S/C36H37N3O7/c40-31(37-21-36-18-23-12-24(19-36)14-25(13-23)20-36)29-8-4-5-9-30(29)32(41)39(11-10-22-6-2-1-3-7-22)35(46)38-28-16-26(33(42)43)15-27(17-28)34(44)45/h1-9,15-17,23-25H,10-14,18-21H2,(H,37,40)(H,38,46)(H,42,43)(H,44,45)