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

Systemtic Name: methyl (2S)-3-[3-bromanyl-4-oxidanyl-5-[(2-oxidanyl-5-prop-2-enoxy-phenyl)methyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-3-[3-[(5-allyloxy-2-hydroxy-phenyl)methyl]-5-bromo-4-hydroxy-phenyl]-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-3-[3-bromo-4-hydroxy-5-[(2-hydroxy-5-prop-2-enoxyphenyl)methyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[3-bromo-4-hydroxy-5-[(2-hydroxy-5-prop-2-enoxyphenyl)methyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-[3-(5-allyloxy-2-hydroxy-benzyl)-5-bromo-4-hydroxy-phenyl]-2-(benzyloxycarbonylamino)propionic acid methyl ester Formula: C28H28BrNO7 MolecularWeight: 570.42842

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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)OCC=C)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)OCC=C)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H28BrNO7/c1-3-11-36-22-9-10-25(31)20(16-22)15-21-12-19(13-23(29)26(21)32)14-24(27(33)35-2)30-28(34)37-17-18-7-5-4-6-8-18/h3-10,12-13,16,24,31-32H,1,11,14-15,17H2,2H3,(H,30,34)/t24-/m0/s1