2-[[2-[bis(carboxymethyl)amino]-2-[4-(hexadecanoylamino)phenyl]ethyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-[bis(carboxymethyl)amino]-2-[4-(hexadecanoylamino)phenyl]ethyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[2-[bis(carboxymethyl)amino]-2-[4-(hexadecanoylamino)phenyl]ethyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[[2-[bis(carboxymethyl)amino]-2-[4-(1-oxohexadecylamino)phenyl]ethyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[2-[bis(carboxymethyl)amino]-2-[4-(hexadecanoylamino)phenyl]ethyl]-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[2-[bis(carboxymethyl)amino]-2-(4-palmitamidophenyl)ethyl]-(carboxymethyl)amino]acetic acid Formula: C32H51N3O9 MolecularWeight: 621.76204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C32H51N3O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28(36)33-26-18-16-25(17-19-26)27(35(23-31(41)42)24-32(43)44)20-34(21-29(37)38)22-30(39)40/h16-19,27H,2-15,20-24H2,1H3,(H,33,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)