(4-bromophenyl) (2R,3S)-6-chloranyl-2-oxidanyl-3-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (4-bromophenyl) (2R,3S)-6-chloranyl-2-oxidanyl-3-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (4-bromophenyl) (2R,3S)-3-(benzyloxycarbonylamino)-6-chloro-2-hydroxy-hexanoate CAS Name: (2R,3S)-6-chloro-2-hydroxy-3-(phenylmethoxycarbonylamino)hexanoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) (2R,3S)-6-chloro-2-hydroxy-3-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2R,3S)-3-(benzyloxycarbonylamino)-6-chloro-2-hydroxy-hexanoic acid (4-bromophenyl) ester Formula: C20H21BrClNO5 MolecularWeight: 470.74144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCCl)C(C(=O)OC2=CC=C(C=C2)Br)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCCl)[C@H](C(=O)OC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C20H21BrClNO5/c21-15-8-10-16(11-9-15)28-19(25)18(24)17(7-4-12-22)23-20(26)27-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18,24H,4,7,12-13H2,(H,23,26)/t17-,18+/m0/s1