2-[[1-ethoxy-1-oxidanylidene-3-(pentyldisulfanyl)propan-2-yl]amino]propanoic acid

Systemtic Name: 2-[[1-ethoxy-1-oxidanylidene-3-(pentyldisulfanyl)propan-2-yl]amino]propanoic acid Openeye Name: 2-[[2-ethoxy-2-oxo-1-[(pentyldisulfanyl)methyl]ethyl]amino]propanoic acid CAS Name: 2-[[1-ethoxy-1-oxo-3-(pentyldisulfanyl)propan-2-yl]amino]propanoic acid IUPAC Name: 2-[[1-ethoxy-1-oxo-3-(pentyldisulfanyl)propan-2-yl]amino]propanoic acid Traditional Name: 2-[[1-[(amyldisulfanyl)methyl]-2-ethoxy-2-keto-ethyl]amino]propionic acid Formula: C13H25NO4S2 MolecularWeight: 323.4719

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSSCC(C(=O)OCC)NC(C)C(=O)O

Isomeric SMILES

CCCCCSSCC(C(=O)OCC)NC(C)C(=O)O

InChI

InChI=1S/C13H25NO4S2/c1-4-6-7-8-19-20-9-11(13(17)18-5-2)14-10(3)12(15)16/h10-11,14H,4-9H2,1-3H3,(H,15,16)