[(5R)-2-bromanyl-1-ethoxy-6-oxidanyl-1,3,6-tris(oxidanylidene)-5-(phenylmethoxycarbonylamino)-5-(phenylmethyl)hexan-2-yl]-triphenyl-phosphanium bromide

Systemtic Name: [(5R)-2-bromanyl-1-ethoxy-6-oxidanyl-1,3,6-tris(oxidanylidene)-5-(phenylmethoxycarbonylamino)-5-(phenylmethyl)hexan-2-yl]-triphenyl-phosphanium bromide Openeye Name: [(4R)-4-benzyl-4-(benzyloxycarbonylamino)-1-bromo-1-ethoxycarbonyl-5-hydroxy-2,5-dioxo-pentyl]-triphenyl-phosphonium bromide CAS Name: [(5R)-2-bromo-1-ethoxy-6-hydroxy-1,3,6-trioxo-5-(phenylmethoxycarbonylamino)-5-(phenylmethyl)hexan-2-yl]-triphenylphosphonium bromide IUPAC Name: [(5R)-5-benzyl-2-bromo-1-ethoxy-6-hydroxy-1,3,6-trioxo-5-(phenylmethoxycarbonylamino)hexan-2-yl]-triphenylphosphanium bromide Traditional Name: [(4R)-4-benzyl-4-(benzyloxycarbonylamino)-1-bromo-1-carbethoxy-5-hydroxy-2,5-diketo-pentyl]-triphenyl-phosphonium bromide Formula: C41H38Br2NO7P MolecularWeight: 847.524681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)CC(CC1=CC=CC=C1)(C(=O)O)NC(=O)OCC2=CC=CC=C2)([P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)Br.[Br-]

Isomeric SMILES

CCOC(=O)C(C(=O)C[C@](CC1=CC=CC=C1)(C(=O)O)NC(=O)OCC2=CC=CC=C2)([P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)Br.[Br-]

InChI

InChI=1S/C41H37BrNO7P.BrH/c1-2-49-38(47)41(42,51(33-22-12-5-13-23-33,34-24-14-6-15-25-34)35-26-16-7-17-27-35)36(44)29-40(37(45)46,28-31-18-8-3-9-19-31)43-39(48)50-30-32-20-10-4-11-21-32;/h3-27H,2,28-30H2,1H3,(H-,43,45,46,48);1H/t40-,41?;/m1./s1