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

Systemtic Name: 2-[(1-ethoxy-3-hexylsulfanyl-1-oxidanylidene-propan-2-yl)amino]propanoic acid Openeye Name: 2-[[2-ethoxy-1-(hexylsulfanylmethyl)-2-oxo-ethyl]amino]propanoic acid CAS Name: 2-[[1-ethoxy-3-(hexylthio)-1-oxopropan-2-yl]amino]propanoic acid IUPAC Name: 2-[(1-ethoxy-3-hexylsulfanyl-1-oxopropan-2-yl)amino]propanoic acid Traditional Name: 2-[[2-ethoxy-1-[(hexylthio)methyl]-2-keto-ethyl]amino]propionic acid Formula: C14H27NO4S MolecularWeight: 305.43348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC(C(=O)OCC)NC(C)C(=O)O

Isomeric SMILES

CCCCCCSCC(C(=O)OCC)NC(C)C(=O)O

InChI

InChI=1S/C14H27NO4S/c1-4-6-7-8-9-20-10-12(14(18)19-5-2)15-11(3)13(16)17/h11-12,15H,4-10H2,1-3H3,(H,16,17)