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

Systemtic Name: 2-[(1-ethoxy-3-heptylsulfanyl-1-oxidanylidene-propan-2-yl)amino]propanoic acid Openeye Name: 2-[[2-ethoxy-1-(heptylsulfanylmethyl)-2-oxo-ethyl]amino]propanoic acid CAS Name: 2-[[1-ethoxy-3-(heptylthio)-1-oxopropan-2-yl]amino]propanoic acid IUPAC Name: 2-[(1-ethoxy-3-heptylsulfanyl-1-oxopropan-2-yl)amino]propanoic acid Traditional Name: 2-[[2-ethoxy-1-[(heptylthio)methyl]-2-keto-ethyl]amino]propionic acid Formula: C15H29NO4S MolecularWeight: 319.46006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSCC(C(=O)OCC)NC(C)C(=O)O

Isomeric SMILES

CCCCCCCSCC(C(=O)OCC)NC(C)C(=O)O

InChI

InChI=1S/C15H29NO4S/c1-4-6-7-8-9-10-21-11-13(15(19)20-5-2)16-12(3)14(17)18/h12-13,16H,4-11H2,1-3H3,(H,17,18)