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

Systemtic Name: methyl (2S)-3-[3-bromanyl-5-[(5-bromanyl-2-oxidanyl-phenyl)methyl]-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-[3-bromo-5-[(5-bromo-2-hydroxy-phenyl)methyl]-4-hydroxy-phenyl]propanoate CAS Name: (2S)-3-[3-bromo-5-[(5-bromo-2-hydroxyphenyl)methyl]-4-hydroxyphenyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[3-bromo-5-[(5-bromo-2-hydroxyphenyl)methyl]-4-hydroxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[3-bromo-5-(5-bromo-2-hydroxy-benzyl)-4-hydroxy-phenyl]propionic acid methyl ester Formula: C25H23Br2NO6 MolecularWeight: 593.26122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C(=C1)Br)O)CC2=C(C=CC(=C2)Br)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC(=C(C(=C1)Br)O)CC2=C(C=CC(=C2)Br)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H23Br2NO6/c1-33-24(31)21(28-25(32)34-14-15-5-3-2-4-6-15)11-16-9-18(23(30)20(27)10-16)12-17-13-19(26)7-8-22(17)29/h2-10,13,21,29-30H,11-12,14H2,1H3,(H,28,32)/t21-/m0/s1