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

Systemtic Name: 5-[[[2-(cycloheptylmethylcarbamoyl)phenyl]carbonyl-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[[2-(cycloheptylmethylcarbamoyl)benzoyl]-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[[[2-[(cycloheptylmethylamino)-oxomethyl]phenyl]-oxomethyl]-phenethylamino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[[2-(cycloheptylmethylcarbamoyl)benzoyl]-phenethylcarbamoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[[2-(cycloheptylmethylcarbamoyl)benzoyl]-phenethyl-carbamoyl]amino]isophthalic acid Formula: C33H35N3O7 MolecularWeight: 585.6469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)CNC(=O)C2=CC=CC=C2C(=O)N(CCC3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1CCCC(CC1)CNC(=O)C2=CC=CC=C2C(=O)N(CCC3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C33H35N3O7/c37-29(34-21-23-12-4-1-2-5-13-23)27-14-8-9-15-28(27)30(38)36(17-16-22-10-6-3-7-11-22)33(43)35-26-19-24(31(39)40)18-25(20-26)32(41)42/h3,6-11,14-15,18-20,23H,1-2,4-5,12-13,16-17,21H2,(H,34,37)(H,35,43)(H,39,40)(H,41,42)