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

Systemtic Name: 3-[2-carboxyethyl-[2-(decylamino)-2-oxidanylidene-ethyl]sulfanylcarbothioyl-amino]propanoic acid Openeye Name: 3-[2-carboxyethyl-[2-(decylamino)-2-oxo-ethyl]sulfanylcarbothioyl-amino]propanoic acid CAS Name: 3-[2-carboxyethyl-[[[2-(decylamino)-2-oxoethyl]thio]-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[2-carboxyethyl-[2-(decylamino)-2-oxoethyl]sulfanylcarbothioylamino]propanoic acid Traditional Name: 3-[2-carboxyethyl-[[2-(decylamino)-2-keto-ethyl]thio]carbothioyl-amino]propionic acid Formula: C19H34N2O5S2 MolecularWeight: 434.61366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H34N2O5S2/c1-2-3-4-5-6-7-8-9-12-20-16(22)15-28-19(27)21(13-10-17(23)24)14-11-18(25)26/h2-15H2,1H3,(H,20,22)(H,23,24)(H,25,26)