S-tert-butyl 1-[(1R,2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxidanyl-4-phenyl-2-phenylselanyl-butyl]cyclohexane-1-carbothioate

Systemtic Name: S-tert-butyl 1-[(1R,2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxidanyl-4-phenyl-2-phenylselanyl-butyl]cyclohexane-1-carbothioate Openeye Name: S-tert-butyl 1-[(1R,2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-4-phenyl-2-phenylselanyl-butyl]cyclohexanecarbothioate CAS Name: 1-[(1R,2S,3S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-hydroxy-4-phenyl-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-4-phenyl-2-phenylselanylbutyl]cyclohexane-1-carbothioate Traditional Name: 1-[(1R,2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-4-phenyl-2-(phenylseleno)butyl]cyclohexanecarbothioic acid S-tert-butyl ester Formula: C42H47NO4SSe MolecularWeight: 740.85188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)C1(CCCCC1)C(C(C(CC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)[Se]C6=CC=CC=C6)O

Isomeric SMILES

CC(C)(C)SC(=O)C1(CCCCC1)[C@H]([C@H]([C@H](CC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)[Se]C6=CC=CC=C6)O

InChI

InChI=1S/C42H47NO4SSe/c1-41(2,3)48-39(45)42(25-15-6-16-26-42)38(44)37(49-30-19-9-5-10-20-30)36(27-29-17-7-4-8-18-29)43-40(46)47-28-35-33-23-13-11-21-31(33)32-22-12-14-24-34(32)35/h4-5,7-14,17-24,35-38,44H,6,15-16,25-28H2,1-3H3,(H,43,46)/t36-,37-,38-/m0/s1