[3,5-bis[[[(2S)-2-oxidanyl-2-phenyl-ethanoyl]amino]methyl]phenyl]-triphenyl-phosphanium bromide

Systemtic Name: [3,5-bis[[[(2S)-2-oxidanyl-2-phenyl-ethanoyl]amino]methyl]phenyl]-triphenyl-phosphanium bromide Openeye Name: [3,5-bis[[[(2S)-2-hydroxy-2-phenyl-acetyl]amino]methyl]phenyl]-triphenyl-phosphonium bromide CAS Name: [3,5-bis[[[(2S)-2-hydroxy-1-oxo-2-phenylethyl]amino]methyl]phenyl]-triphenylphosphonium bromide IUPAC Name: [3,5-bis[[[(2S)-2-hydroxy-2-phenylacetyl]amino]methyl]phenyl]-triphenylphosphanium bromide Traditional Name: [3,5-bis[[[(2S)-2-hydroxy-2-phenyl-acetyl]amino]methyl]phenyl]-triphenyl-phosphonium bromide Formula: C42H38BrN2O4P MolecularWeight: 745.639881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NCC2=CC(=CC(=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CNC(=O)C(C6=CC=CC=C6)O)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C(=O)NCC2=CC(=CC(=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CNC(=O)[C@H](C6=CC=CC=C6)O)O.[Br-]

InChI

InChI=1S/C42H37N2O4P.BrH/c45-39(33-16-6-1-7-17-33)41(47)43-29-31-26-32(30-44-42(48)40(46)34-18-8-2-9-19-34)28-38(27-31)49(35-20-10-3-11-21-35,36-22-12-4-13-23-36)37-24-14-5-15-25-37;/h1-28,39-40,45-46H,29-30H2,(H-,43,44,47,48);1H/t39-,40-;/m0./s1