2-[[3,5-bis(carboxymethylcarbamoyl)-1,3,5-trimethyl-cyclohexyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3,5-bis(carboxymethylcarbamoyl)-1,3,5-trimethyl-cyclohexyl]carbonylamino]ethanoic acid Openeye Name: 2-[[3,5-bis(carboxymethylcarbamoyl)-1,3,5-trimethyl-cyclohexanecarbonyl]amino]acetic acid CAS Name: 2-[[[3,5-bis[(carboxymethylamino)-oxomethyl]-1,3,5-trimethylcyclohexyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3,5-bis(carboxymethylcarbamoyl)-1,3,5-trimethylcyclohexanecarbonyl]amino]acetic acid Traditional Name: 2-[[3,5-bis(carboxymethylcarbamoyl)-1,3,5-trimethyl-cyclohexanecarbonyl]amino]acetic acid Formula: C18H27N3O9 MolecularWeight: 429.42168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)C(=O)NCC(=O)O)(C)C(=O)NCC(=O)O)C(=O)NCC(=O)O

Isomeric SMILES

CC1(CC(CC(C1)(C)C(=O)NCC(=O)O)(C)C(=O)NCC(=O)O)C(=O)NCC(=O)O

InChI

InChI=1S/C18H27N3O9/c1-16(13(28)19-4-10(22)23)7-17(2,14(29)20-5-11(24)25)9-18(3,8-16)15(30)21-6-12(26)27/h4-9H2,1-3H3,(H,19,28)(H,20,29)(H,21,30)(H,22,23)(H,24,25)(H,26,27)