3-[2-carboxyethyl-[2-(octylamino)-2-oxidanylidene-ethyl]sulfanylcarbothioyl-amino]propanoic acid

Systemtic Name: 3-[2-carboxyethyl-[2-(octylamino)-2-oxidanylidene-ethyl]sulfanylcarbothioyl-amino]propanoic acid Openeye Name: 3-[2-carboxyethyl-[2-(octylamino)-2-oxo-ethyl]sulfanylcarbothioyl-amino]propanoic acid CAS Name: 3-[2-carboxyethyl-[[[2-(octylamino)-2-oxoethyl]thio]-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[2-carboxyethyl-[2-(octylamino)-2-oxoethyl]sulfanylcarbothioylamino]propanoic acid Traditional Name: 3-[2-carboxyethyl-[[2-keto-2-(octylamino)ethyl]thio]carbothioyl-amino]propionic acid Formula: C17H30N2O5S2 MolecularWeight: 406.5605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)CSC(=S)N(CCC(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)CSC(=S)N(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C17H30N2O5S2/c1-2-3-4-5-6-7-10-18-14(20)13-26-17(25)19(11-8-15(21)22)12-9-16(23)24/h2-13H2,1H3,(H,18,20)(H,21,22)(H,23,24)