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

Systemtic Name: 3-[2-carboxyethyl(hexadecylsulfanylcarbothioyl)amino]propanoic acid Openeye Name: 3-[2-carboxyethyl(hexadecylsulfanylcarbothioyl)amino]propanoic acid CAS Name: 3-[2-carboxyethyl-[(hexadecylthio)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[2-carboxyethyl(hexadecylsulfanylcarbothioyl)amino]propanoic acid Traditional Name: 3-[2-carboxyethyl-(cetylthio)carbothioyl-amino]propionic acid Formula: C23H43NO4S2 MolecularWeight: 461.72182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(=S)N(CCC(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(=S)N(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C23H43NO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-23(29)24(18-16-21(25)26)19-17-22(27)28/h2-20H2,1H3,(H,25,26)(H,27,28)