5-[[[4-(1-adamantylmethylcarbamoyl)furan-3-yl]carbonyl-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[[4-(1-adamantylmethylcarbamoyl)furan-3-yl]carbonyl-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[[4-(1-adamantylmethylcarbamoyl)furan-3-carbonyl]-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[[[4-[(1-adamantylmethylamino)-oxomethyl]-3-furanyl]-oxomethyl]-phenethylamino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[[4-(1-adamantylmethylcarbamoyl)furan-3-carbonyl]-phenethylcarbamoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[[4-(1-adamantylmethylcarbamoyl)-3-furoyl]-phenethyl-carbamoyl]amino]isophthalic acid Formula: C34H35N3O8 MolecularWeight: 613.657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H35N3O8/c38-29(35-19-34-14-21-8-22(15-34)10-23(9-21)16-34)27-17-45-18-28(27)30(39)37(7-6-20-4-2-1-3-5-20)33(44)36-26-12-24(31(40)41)11-25(13-26)32(42)43/h1-5,11-13,17-18,21-23H,6-10,14-16,19H2,(H,35,38)(H,36,44)(H,40,41)(H,42,43)