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

Systemtic Name: 3-[2-carboxyethyl-[2-(dodecylamino)-2-oxidanylidene-ethyl]sulfanylcarbothioyl-amino]propanoic acid Openeye Name: 3-[2-carboxyethyl-[2-(dodecylamino)-2-oxo-ethyl]sulfanylcarbothioyl-amino]propanoic acid CAS Name: 3-[2-carboxyethyl-[[[2-(dodecylamino)-2-oxoethyl]thio]-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[2-carboxyethyl-[2-(dodecylamino)-2-oxoethyl]sulfanylcarbothioylamino]propanoic acid Traditional Name: 3-[2-carboxyethyl-[[2-keto-2-(laurylamino)ethyl]thio]carbothioyl-amino]propionic acid Formula: C21H38N2O5S2 MolecularWeight: 462.66682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38N2O5S2/c1-2-3-4-5-6-7-8-9-10-11-14-22-18(24)17-30-21(29)23(15-12-19(25)26)16-13-20(27)28/h2-17H2,1H3,(H,22,24)(H,25,26)(H,27,28)