2-[2-[carboxymethyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]ethyl-[2-[carboxymethyl-[2-(hexadecylamino)-2-oxidanylidene-ethyl]amino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[2-[carboxymethyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]ethyl-[2-[carboxymethyl-[2-(hexadecylamino)-2-oxidanylidene-ethyl]amino]ethyl]amino]ethanoic acid Openeye Name: 2-[2-[carboxymethyl-(2-ethoxy-2-oxo-ethyl)amino]ethyl-[2-[carboxymethyl-[2-(hexadecylamino)-2-oxo-ethyl]amino]ethyl]amino]acetic acid CAS Name: 2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[carboxymethyl-[2-(hexadecylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[carboxymethyl-[2-(hexadecylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid Traditional Name: 2-[2-[carboxymethyl-[2-(cetylamino)-2-keto-ethyl]amino]ethyl-[2-[carboxymethyl-(2-ethoxy-2-keto-ethyl)amino]ethyl]amino]acetic acid Formula: C32H60N4O9 MolecularWeight: 644.8402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)OCC)CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)OCC)CC(=O)O)CC(=O)O

InChI

InChI=1S/C32H60N4O9/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33-28(37)23-35(25-30(40)41)21-19-34(24-29(38)39)20-22-36(26-31(42)43)27-32(44)45-4-2/h3-27H2,1-2H3,(H,33,37)(H,38,39)(H,40,41)(H,42,43)