3-[2-carboxyethyl(hexadecylcarbamothioyl)amino]propanoic acid

Systemtic Name: 3-[2-carboxyethyl(hexadecylcarbamothioyl)amino]propanoic acid Openeye Name: 3-[2-carboxyethyl(hexadecylcarbamothioyl)amino]propanoic acid CAS Name: 3-[2-carboxyethyl-[(hexadecylamino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[2-carboxyethyl(hexadecylcarbamothioyl)amino]propanoic acid Traditional Name: 3-[2-carboxyethyl(cetylthiocarbamoyl)amino]propionic acid Formula: C23H44N2O4S MolecularWeight: 444.67146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)N(CCC(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)N(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C23H44N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-23(30)25(19-16-21(26)27)20-17-22(28)29/h2-20H2,1H3,(H,24,30)(H,26,27)(H,28,29)