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

Systemtic Name: 3-[2-carboxyethyl(2-dodecoxycarbothioylsulfanylethanoyl)amino]propanoic acid Openeye Name: 3-[2-carboxyethyl-(2-dodecoxycarbothioylsulfanylacetyl)amino]propanoic acid CAS Name: 3-[2-carboxyethyl-[2-[[dodecoxy(sulfanylidene)methyl]thio]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[2-carboxyethyl-(2-dodecoxycarbothioylsulfanylacetyl)amino]propanoic acid Traditional Name: 3-[2-carboxyethyl-[2-(lauryloxycarbothioylthio)acetyl]amino]propionic acid Formula: C21H37NO6S2 MolecularWeight: 463.65158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37NO6S2/c1-2-3-4-5-6-7-8-9-10-11-16-28-21(29)30-17-18(23)22(14-12-19(24)25)15-13-20(26)27/h2-17H2,1H3,(H,24,25)(H,26,27)