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

Systemtic Name: tert-butyl (2S)-2-[[(2R,3S)-2-methylsulfanyl-3-oxidanyl-hexyl]amino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[[(2R,3S)-3-hydroxy-2-methylsulfanyl-hexyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2R,3S)-3-hydroxy-2-(methylthio)hexyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2R,3S)-3-hydroxy-2-methylsulfanylhexyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2R,3S)-3-hydroxy-2-(methylthio)hexyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C20H33NO3S MolecularWeight: 367.54592

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CNC(CC1=CC=CC=C1)C(=O)OC(C)(C)C)SC)O

Isomeric SMILES

CCC[C@@H]([C@@H](CN[C@@H](CC1=CC=CC=C1)C(=O)OC(C)(C)C)SC)O

InChI

InChI=1S/C20H33NO3S/c1-6-10-17(22)18(25-5)14-21-16(19(23)24-20(2,3)4)13-15-11-8-7-9-12-15/h7-9,11-12,16-18,21-22H,6,10,13-14H2,1-5H3/t16-,17-,18+/m0/s1