2-[2-[bis(carboxymethyl)amino]ethyl-(1-oxidanyl-1-oxidanylidene-undecan-2-yl)amino]undecanoic acid

Systemtic Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(1-oxidanyl-1-oxidanylidene-undecan-2-yl)amino]undecanoic acid Openeye Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(1-carboxydecyl)amino]undecanoic acid CAS Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(1-hydroxy-1-oxoundecan-2-yl)amino]undecanoic acid IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(1-hydroxy-1-oxoundecan-2-yl)amino]undecanoic acid Traditional Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(1-carboxydecyl)amino]undecanoic acid Formula: C28H52N2O8 MolecularWeight: 544.72108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)C(CCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCC(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)C(CCCCCCCCC)C(=O)O

InChI

InChI=1S/C28H52N2O8/c1-3-5-7-9-11-13-15-17-23(27(35)36)30(20-19-29(21-25(31)32)22-26(33)34)24(28(37)38)18-16-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3,(H,31,32)(H,33,34)(H,35,36)(H,37,38)