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

Systemtic Name: S-tert-butyl 1-[(1R,2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-1-oxidanyl-2-phenylselanyl-pentyl]cyclohexane-1-carbothioate Openeye Name: S-tert-butyl 1-[(1R,2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-4-methyl-2-phenylselanyl-pentyl]cyclohexanecarbothioate CAS Name: 1-[(1R,2S,3S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-hydroxy-4-methyl-2-(phenylseleno)pentyl]-1-cyclohexanecarbothioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 1-[(1R,2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-4-methyl-2-phenylselanylpentyl]cyclohexane-1-carbothioate Traditional Name: 1-[(1R,2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-4-methyl-2-(phenylseleno)pentyl]cyclohexanecarbothioic acid S-tert-butyl ester Formula: C38H47NO4SSe MolecularWeight: 692.80908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(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

CC(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/C38H47NO4SSe/c1-25(2)32(39-36(42)43-24-31-29-20-12-10-18-27(29)28-19-11-13-21-30(28)31)33(45-26-16-8-6-9-17-26)34(40)38(22-14-7-15-23-38)35(41)44-37(3,4)5/h6,8-13,16-21,25,31-34,40H,7,14-15,22-24H2,1-5H3,(H,39,42)/t32-,33-,34-/m0/s1