methyl (2S)-3-[3-bromanyl-4-oxidanyl-5-[(2-oxidanyl-5-phenyl-phenyl)methyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[3-bromanyl-4-oxidanyl-5-[(2-oxidanyl-5-phenyl-phenyl)methyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-[3-bromo-4-hydroxy-5-[(2-hydroxy-5-phenyl-phenyl)methyl]phenyl]propanoate CAS Name: (2S)-3-[3-bromo-4-hydroxy-5-[(2-hydroxy-5-phenylphenyl)methyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[3-bromo-4-hydroxy-5-[(2-hydroxy-5-phenylphenyl)methyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[3-bromo-4-hydroxy-5-(2-hydroxy-5-phenyl-benzyl)phenyl]propionic acid methyl ester Formula: C31H28BrNO6 MolecularWeight: 590.46112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C(=C1)Br)O)CC2=C(C=CC(=C2)C3=CC=CC=C3)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CC(=C(C(=C1)Br)O)CC2=C(C=CC(=C2)C3=CC=CC=C3)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H28BrNO6/c1-38-30(36)27(33-31(37)39-19-20-8-4-2-5-9-20)16-21-14-25(29(35)26(32)15-21)18-24-17-23(12-13-28(24)34)22-10-6-3-7-11-22/h2-15,17,27,34-35H,16,18-19H2,1H3,(H,33,37)/t27-/m0/s1