2-[2-[bis(carboxymethyl)amino]ethyl-(5-carboxynonan-5-yl)amino]-2-butyl-hexanoic acid

Systemtic Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(5-carboxynonan-5-yl)amino]-2-butyl-hexanoic acid Openeye Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(1-butyl-1-carboxy-pentyl)amino]-2-butyl-hexanoic acid CAS Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(5-carboxynonan-5-yl)amino]-2-butylhexanoic acid IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(5-carboxynonan-5-yl)amino]-2-butylhexanoic acid Traditional Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(1-butyl-1-carboxy-pentyl)amino]-2-butyl-hexanoic acid Formula: C26H48N2O8 MolecularWeight: 516.66792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)C(CCCC)(CCCC)C(=O)O

Isomeric SMILES

CCCCC(CCCC)(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)C(CCCC)(CCCC)C(=O)O

InChI

InChI=1S/C26H48N2O8/c1-5-9-13-25(23(33)34,14-10-6-2)28(18-17-27(19-21(29)30)20-22(31)32)26(24(35)36,15-11-7-3)16-12-8-4/h5-20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)