tert-butyl (2S)-4-methyl-2-[[(2R,3S)-3-oxidanyl-2-phenylsulfanyl-hexyl]amino]pentanoate

Systemtic Name: tert-butyl (2S)-4-methyl-2-[[(2R,3S)-3-oxidanyl-2-phenylsulfanyl-hexyl]amino]pentanoate Openeye Name: tert-butyl (2S)-2-[[(2R,3S)-3-hydroxy-2-phenylsulfanyl-hexyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2R,3S)-3-hydroxy-2-(phenylthio)hexyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2R,3S)-3-hydroxy-2-phenylsulfanylhexyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2R,3S)-3-hydroxy-2-(phenylthio)hexyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C22H37NO3S MolecularWeight: 395.59908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37NO3S/c1-7-11-19(24)20(27-17-12-9-8-10-13-17)15-23-18(14-16(2)3)21(25)26-22(4,5)6/h8-10,12-13,16,18-20,23-24H,7,11,14-15H2,1-6H3/t18-,19-,20+/m0/s1