S-tert-butyl 1-[(1R,2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxidanyl-2-phenylselanyl-butyl]cyclohexane-1-carbothioate

Systemtic Name: S-tert-butyl 1-[(1R,2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxidanyl-2-phenylselanyl-butyl]cyclohexane-1-carbothioate Openeye Name: S-tert-butyl 1-[(1R,2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2-phenylselanyl-butyl]cyclohexanecarbothioate CAS Name: 1-[(1R,2S,3S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-hydroxy-2-(phenylseleno)butyl]-1-cyclohexanecarbothioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 1-[(1R,2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2-phenylselanylbutyl]cyclohexane-1-carbothioate Traditional Name: 1-[(1R,2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2-(phenylseleno)butyl]cyclohexanecarbothioic acid S-tert-butyl ester Formula: C36H43NO4SSe MolecularWeight: 664.75592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C1(CCCCC1)C(=O)SC(C)(C)C)O)[Se]C2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

C[C@@H]([C@@H]([C@@H](C1(CCCCC1)C(=O)SC(C)(C)C)O)[Se]C2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C36H43NO4SSe/c1-24(37-34(40)41-23-30-28-19-11-9-17-26(28)27-18-10-12-20-29(27)30)31(43-25-15-7-5-8-16-25)32(38)36(21-13-6-14-22-36)33(39)42-35(2,3)4/h5,7-12,15-20,24,30-32,38H,6,13-14,21-23H2,1-4H3,(H,37,40)/t24-,31-,32-/m0/s1