S-tert-butyl (3R,4S,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2,6-trimethyl-3-oxidanyl-4-phenylselanyl-heptanethioate

Systemtic Name: S-tert-butyl (3R,4S,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2,6-trimethyl-3-oxidanyl-4-phenylselanyl-heptanethioate Openeye Name: S-tert-butyl (3R,4S,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-2,2,6-trimethyl-4-phenylselanyl-heptanethioate CAS Name: (3R,4S,5S)-5-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-hydroxy-2,2,6-trimethyl-4-(phenylseleno)heptanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (3R,4S,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-2,2,6-trimethyl-4-phenylselanylheptanethioate Traditional Name: (3R,4S,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-2,2,6-trimethyl-4-(phenylseleno)heptanethioic acid S-tert-butyl ester Formula: C35H43NO4SSe MolecularWeight: 652.74522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H43NO4SSe/c1-22(2)29(30(42-23-15-9-8-10-16-23)31(37)35(6,7)32(38)41-34(3,4)5)36-33(39)40-21-28-26-19-13-11-17-24(26)25-18-12-14-20-27(25)28/h8-20,22,28-31,37H,21H2,1-7H3,(H,36,39)/t29-,30-,31-/m0/s1