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

Systemtic Name: 3-[2-carboxyethyl(2-octoxycarbothioylsulfanylethanoyl)amino]propanoic acid Openeye Name: 3-[2-carboxyethyl-(2-octoxycarbothioylsulfanylacetyl)amino]propanoic acid CAS Name: 3-[2-carboxyethyl-[2-[[octoxy(sulfanylidene)methyl]thio]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[2-carboxyethyl-(2-octoxycarbothioylsulfanylacetyl)amino]propanoic acid Traditional Name: 3-[2-carboxyethyl-[2-(octoxycarbothioylthio)acetyl]amino]propionic acid Formula: C17H29NO6S2 MolecularWeight: 407.54526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=S)SCC(=O)N(CCC(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCOC(=S)SCC(=O)N(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C17H29NO6S2/c1-2-3-4-5-6-7-12-24-17(25)26-13-14(19)18(10-8-15(20)21)11-9-16(22)23/h2-13H2,1H3,(H,20,21)(H,22,23)