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

Systemtic Name: tert-butyl (2S)-2-[[(2R,3S)-3-oxidanyl-2-phenylsulfanyl-hexyl]amino]propanoate Openeye Name: tert-butyl (2S)-2-[[(2R,3S)-3-hydroxy-2-phenylsulfanyl-hexyl]amino]propanoate CAS Name: (2S)-2-[[(2R,3S)-3-hydroxy-2-(phenylthio)hexyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2R,3S)-3-hydroxy-2-phenylsulfanylhexyl]amino]propanoate Traditional Name: (2S)-2-[[(2R,3S)-3-hydroxy-2-(phenylthio)hexyl]amino]propionic acid tert-butyl ester Formula: C19H31NO3S MolecularWeight: 353.51934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CNC(C)C(=O)OC(C)(C)C)SC1=CC=CC=C1)O

Isomeric SMILES

CCC[C@@H]([C@@H](CN[C@@H](C)C(=O)OC(C)(C)C)SC1=CC=CC=C1)O

InChI

InChI=1S/C19H31NO3S/c1-6-10-16(21)17(24-15-11-8-7-9-12-15)13-20-14(2)18(22)23-19(3,4)5/h7-9,11-12,14,16-17,20-21H,6,10,13H2,1-5H3/t14-,16-,17+/m0/s1