tert-butyl (2S,3S)-2,4,4-trimethyl-3-oxidanyl-5-[(phenylmethyl)amino]-2-phenylselanyl-pentanoate

Systemtic Name: tert-butyl (2S,3S)-2,4,4-trimethyl-3-oxidanyl-5-[(phenylmethyl)amino]-2-phenylselanyl-pentanoate Openeye Name: tert-butyl (2S,3S)-5-(benzylamino)-3-hydroxy-2,4,4-trimethyl-2-phenylselanyl-pentanoate CAS Name: (2S,3S)-3-hydroxy-2,4,4-trimethyl-5-[(phenylmethyl)amino]-2-(phenylseleno)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S)-5-(benzylamino)-3-hydroxy-2,4,4-trimethyl-2-phenylselanylpentanoate Traditional Name: (2S,3S)-5-(benzylamino)-3-hydroxy-2,4,4-trimethyl-2-(phenylseleno)valeric acid tert-butyl ester Formula: C25H35NO3Se MolecularWeight: 476.5103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(C(C(C)(C)CNCC1=CC=CC=C1)O)[Se]C2=CC=CC=C2

Isomeric SMILES

C[C@]([C@H](C(C)(C)CNCC1=CC=CC=C1)O)(C(=O)OC(C)(C)C)[Se]C2=CC=CC=C2

InChI

InChI=1S/C25H35NO3Se/c1-23(2,3)29-22(28)25(6,30-20-15-11-8-12-16-20)21(27)24(4,5)18-26-17-19-13-9-7-10-14-19/h7-16,21,26-27H,17-18H2,1-6H3/t21-,25-/m0/s1