S-tert-butyl (3R,4S,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethyl-3-oxidanyl-6-phenylmethoxy-4-phenylselanyl-hexanethioate

Systemtic Name: S-tert-butyl (3R,4S,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethyl-3-oxidanyl-6-phenylmethoxy-4-phenylselanyl-hexanethioate Openeye Name: S-tert-butyl (3R,4S,5S)-6-benzyloxy-5-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-2,2-dimethyl-4-phenylselanyl-hexanethioate CAS Name: (3R,4S,5S)-5-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-hydroxy-2,2-dimethyl-6-phenylmethoxy-4-(phenylseleno)hexanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (3R,4S,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-2,2-dimethyl-6-phenylmethoxy-4-phenylselanylhexanethioate Traditional Name: (3R,4S,5S)-6-benzoxy-5-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-2,2-dimethyl-4-(phenylseleno)hexanethioic acid S-tert-butyl ester Formula: C40H45NO5SSe MolecularWeight: 730.814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)C(C)(C)C(C(C(COCC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)[Se]C5=CC=CC=C5)O

Isomeric SMILES

CC(C)(C)SC(=O)C(C)(C)[C@H]([C@H]([C@H](COCC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)[Se]C5=CC=CC=C5)O

InChI

InChI=1S/C40H45NO5SSe/c1-39(2,3)47-37(43)40(4,5)36(42)35(48-28-18-10-7-11-19-28)34(26-45-24-27-16-8-6-9-17-27)41-38(44)46-25-33-31-22-14-12-20-29(31)30-21-13-15-23-32(30)33/h6-23,33-36,42H,24-26H2,1-5H3,(H,41,44)/t34-,35-,36-/m0/s1