methyl 3-[[3-bromanyl-5-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]-2-oxidanyl-phenyl]methyl]-4-oxidanyl-benzoate

Systemtic Name: methyl 3-[[3-bromanyl-5-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]-2-oxidanyl-phenyl]methyl]-4-oxidanyl-benzoate Openeye Name: methyl 3-[[5-[(2S)-2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-propyl]-3-bromo-2-hydroxy-phenyl]methyl]-4-hydroxy-benzoate CAS Name: 3-[[3-bromo-2-hydroxy-5-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenyl]methyl]-4-hydroxybenzoic acid methyl ester IUPAC Name: methyl 3-[[3-bromo-2-hydroxy-5-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenyl]methyl]-4-hydroxybenzoate Traditional Name: 3-[5-[(2S)-2-(benzyloxycarbonylamino)-3-keto-3-methoxy-propyl]-3-bromo-2-hydroxy-benzyl]-4-hydroxy-benzoic acid methyl ester Formula: C27H26BrNO8 MolecularWeight: 572.40124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26BrNO8/c1-35-25(32)18-8-9-23(30)19(13-18)14-20-10-17(11-21(28)24(20)31)12-22(26(33)36-2)29-27(34)37-15-16-6-4-3-5-7-16/h3-11,13,22,30-31H,12,14-15H2,1-2H3,(H,29,34)/t22-/m0/s1