methyl (2S)-2-[[(2R,3S)-2-methylsulfanyl-3-oxidanyl-hexyl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[(2R,3S)-2-methylsulfanyl-3-oxidanyl-hexyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2R,3S)-3-hydroxy-2-methylsulfanyl-hexyl]amino]propanoate CAS Name: (2S)-2-[[(2R,3S)-3-hydroxy-2-(methylthio)hexyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R,3S)-3-hydroxy-2-methylsulfanylhexyl]amino]propanoate Traditional Name: (2S)-2-[[(2R,3S)-3-hydroxy-2-(methylthio)hexyl]amino]propionic acid methyl ester Formula: C11H23NO3S MolecularWeight: 249.37022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CNC(C)C(=O)OC)SC)O

Isomeric SMILES

CCC[C@@H]([C@@H](CN[C@@H](C)C(=O)OC)SC)O

InChI

InChI=1S/C11H23NO3S/c1-5-6-9(13)10(16-4)7-12-8(2)11(14)15-3/h8-10,12-13H,5-7H2,1-4H3/t8-,9-,10+/m0/s1