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

Systemtic Name: 3-[2-carboxyethyl(hexylcarbamothioyl)amino]propanoic acid Openeye Name: 3-[2-carboxyethyl(hexylcarbamothioyl)amino]propanoic acid CAS Name: 3-[2-carboxyethyl-[(hexylamino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[2-carboxyethyl(hexylcarbamothioyl)amino]propanoic acid Traditional Name: 3-[2-carboxyethyl(hexylthiocarbamoyl)amino]propionic acid Formula: C13H24N2O4S MolecularWeight: 304.40566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)N(CCC(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCNC(=S)N(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C13H24N2O4S/c1-2-3-4-5-8-14-13(20)15(9-6-11(16)17)10-7-12(18)19/h2-10H2,1H3,(H,14,20)(H,16,17)(H,18,19)