tert-butyl (2S)-5-bromanyl-3-methyl-2-(phenylmethoxycarbonylamino)hex-5-enoate

Systemtic Name: tert-butyl (2S)-5-bromanyl-3-methyl-2-(phenylmethoxycarbonylamino)hex-5-enoate Openeye Name: tert-butyl (2S)-2-(benzyloxycarbonylamino)-5-bromo-3-methyl-hex-5-enoate CAS Name: (2S)-5-bromo-3-methyl-2-(phenylmethoxycarbonylamino)-5-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-5-bromo-3-methyl-2-(phenylmethoxycarbonylamino)hex-5-enoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-bromo-3-methyl-hex-5-enoic acid tert-butyl ester Formula: C19H26BrNO4 MolecularWeight: 412.31804

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=C)Br)C(C(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C19H26BrNO4/c1-13(11-14(2)20)16(17(22)25-19(3,4)5)21-18(23)24-12-15-9-7-6-8-10-15/h6-10,13,16H,2,11-12H2,1,3-5H3,(H,21,23)/t13?,16-/m0/s1