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

Systemtic Name: S-tert-butyl 1-[(1R,2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxidanyl-4-phenylmethoxy-2-phenylselanyl-butyl]cyclohexane-1-carbothioate Openeye Name: S-tert-butyl 1-[(1R,2S,3S)-4-benzyloxy-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-4-phenylmethoxy-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-phenylmethoxy-2-phenylselanylbutyl]cyclohexane-1-carbothioate Traditional Name: 1-[(1R,2S,3S)-4-benzoxy-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2-(phenylseleno)butyl]cyclohexanecarbothioic acid S-tert-butyl ester Formula: C43H49NO5SSe MolecularWeight: 770.87786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)C1(CCCCC1)C(C(C(COCC2=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](COCC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)[Se]C6=CC=CC=C6)O

InChI

InChI=1S/C43H49NO5SSe/c1-42(2,3)50-40(46)43(25-15-6-16-26-43)39(45)38(51-31-19-9-5-10-20-31)37(29-48-27-30-17-7-4-8-18-30)44-41(47)49-28-36-34-23-13-11-21-32(34)33-22-12-14-24-35(33)36/h4-5,7-14,17-24,36-39,45H,6,15-16,25-29H2,1-3H3,(H,44,47)/t37-,38-,39-/m0/s1