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

Systemtic Name: 2-[[3,5-bis(hexadecanoylamino)phenyl]carbonyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[3,5-bis(hexadecanoylamino)benzoyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[[[3,5-bis(1-oxohexadecylamino)phenyl]-oxomethyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[3,5-bis(hexadecanoylamino)benzoyl]-(carboxymethyl)amino]acetic acid Traditional Name: 2-[carboxymethyl-(3,5-dipalmitamidobenzoyl)amino]acetic acid Formula: C43H73N3O7 MolecularWeight: 744.05562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=CC(=CC(=C1)C(=O)N(CC(=O)O)CC(=O)O)NC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC(=CC(=C1)C(=O)N(CC(=O)O)CC(=O)O)NC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C43H73N3O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(47)44-37-31-36(43(53)46(34-41(49)50)35-42(51)52)32-38(33-37)45-40(48)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-33H,3-30,34-35H2,1-2H3,(H,44,47)(H,45,48)(H,49,50)(H,51,52)