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

Systemtic Name: 3-[2-carboxyethyl(octylsulfanylcarbothioyl)amino]propanoic acid Openeye Name: 3-[2-carboxyethyl(octylsulfanylcarbothioyl)amino]propanoic acid CAS Name: 3-[2-carboxyethyl-[(octylthio)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[2-carboxyethyl(octylsulfanylcarbothioyl)amino]propanoic acid Traditional Name: 3-[2-carboxyethyl-(octylthio)carbothioyl-amino]propionic acid Formula: C15H27NO4S2 MolecularWeight: 349.50918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(=S)N(CCC(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCSC(=S)N(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C15H27NO4S2/c1-2-3-4-5-6-7-12-22-15(21)16(10-8-13(17)18)11-9-14(19)20/h2-12H2,1H3,(H,17,18)(H,19,20)