3-[2-carboxyethyl-[2-(hexadecylamino)-2-oxidanylidene-ethyl]sulfanylcarbothioyl-amino]propanoic acid

Systemtic Name: 3-[2-carboxyethyl-[2-(hexadecylamino)-2-oxidanylidene-ethyl]sulfanylcarbothioyl-amino]propanoic acid Openeye Name: 3-[2-carboxyethyl-[2-(hexadecylamino)-2-oxo-ethyl]sulfanylcarbothioyl-amino]propanoic acid CAS Name: 3-[2-carboxyethyl-[[[2-(hexadecylamino)-2-oxoethyl]thio]-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[2-carboxyethyl-[2-(hexadecylamino)-2-oxoethyl]sulfanylcarbothioylamino]propanoic acid Traditional Name: 3-[2-carboxyethyl-[[2-(cetylamino)-2-keto-ethyl]thio]carbothioyl-amino]propionic acid Formula: C25H46N2O5S2 MolecularWeight: 518.77314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H46N2O5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26-22(28)21-34-25(33)27(19-16-23(29)30)20-17-24(31)32/h2-21H2,1H3,(H,26,28)(H,29,30)(H,31,32)