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

Systemtic Name: tert-butyl (2S)-2-[[(2R,3S)-2-methylsulfanyl-3-oxidanyl-hexyl]amino]propanoate Openeye Name: tert-butyl (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 tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2R,3S)-3-hydroxy-2-methylsulfanylhexyl]amino]propanoate Traditional Name: (2S)-2-[[(2R,3S)-3-hydroxy-2-(methylthio)hexyl]amino]propionic acid tert-butyl ester Formula: C14H29NO3S MolecularWeight: 291.44996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H29NO3S/c1-7-8-11(16)12(19-6)9-15-10(2)13(17)18-14(3,4)5/h10-12,15-16H,7-9H2,1-6H3/t10-,11-,12+/m0/s1