2-[[3,5-bis(dodecylcarbamoyl)phenyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[3,5-bis(dodecylcarbamoyl)phenyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3,5-bis(dodecylcarbamoyl)anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3,5-bis[(dodecylamino)-oxomethyl]anilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3,5-bis(dodecylcarbamoyl)anilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3,5-bis(laurylcarbamoyl)anilino]acetic acid Formula: C36H61N3O6 MolecularWeight: 631.88604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)C(=O)NCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)C(=O)NCCCCCCCCCCCC

InChI

InChI=1S/C36H61N3O6/c1-3-5-7-9-11-13-15-17-19-21-23-37-35(44)30-25-31(27-32(26-30)39(28-33(40)41)29-34(42)43)36(45)38-24-22-20-18-16-14-12-10-8-6-4-2/h25-27H,3-24,28-29H2,1-2H3,(H,37,44)(H,38,45)(H,40,41)(H,42,43)