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

Systemtic Name: 3-[2-carboxyethyl(decylcarbamothioyl)amino]propanoic acid Openeye Name: 3-[2-carboxyethyl(decylcarbamothioyl)amino]propanoic acid CAS Name: 3-[2-carboxyethyl-[(decylamino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[2-carboxyethyl(decylcarbamothioyl)amino]propanoic acid Traditional Name: 3-[2-carboxyethyl(decylthiocarbamoyl)amino]propionic acid Formula: C17H32N2O4S MolecularWeight: 360.51198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H32N2O4S/c1-2-3-4-5-6-7-8-9-12-18-17(24)19(13-10-15(20)21)14-11-16(22)23/h2-14H2,1H3,(H,18,24)(H,20,21)(H,22,23)