tert-butyl (2S)-6-bromanyl-5-oxidanyl-2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: tert-butyl (2S)-6-bromanyl-5-oxidanyl-2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: tert-butyl (2S)-2-(benzyloxycarbonylamino)-6-bromo-5-hydroxy-hexanoate CAS Name: (2S)-6-bromo-5-hydroxy-2-(phenylmethoxycarbonylamino)hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-6-bromo-5-hydroxy-2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-6-bromo-5-hydroxy-hexanoic acid tert-butyl ester Formula: C18H26BrNO5 MolecularWeight: 416.30674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(CBr)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCC(CBr)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H26BrNO5/c1-18(2,3)25-16(22)15(10-9-14(21)11-19)20-17(23)24-12-13-7-5-4-6-8-13/h4-8,14-15,21H,9-12H2,1-3H3,(H,20,23)/t14?,15-/m0/s1