dimagnesium (2S)-2-methoxy-3-[4-[[(E)-3-(4-methylsulfonyloxyphenyl)prop-2-enyl]-(phenylcarbonyl)amino]phenyl]propanoic acid

Systemtic Name: dimagnesium (2S)-2-methoxy-3-[4-[[(E)-3-(4-methylsulfonyloxyphenyl)prop-2-enyl]-(phenylcarbonyl)amino]phenyl]propanoic acid Openeye Name: dimagnesium (2S)-3-[4-[benzoyl-[(E)-3-(4-methylsulfonyloxyphenyl)allyl]amino]phenyl]-2-methoxy-propanoic acid CAS Name: dimagnesium (2S)-3-[4-[benzoyl-[(E)-3-(4-methylsulfonyloxyphenyl)prop-2-enyl]amino]phenyl]-2-methoxypropanoic acid IUPAC Name: dimagnesium (2S)-3-[4-[benzoyl-[(E)-3-(4-methylsulfonyloxyphenyl)prop-2-enyl]amino]phenyl]-2-methoxypropanoic acid Traditional Name: dimagnesium (2S)-3-[4-[benzoyl-[(E)-3-(4-methylsulfonyloxyphenyl)allyl]amino]phenyl]-2-methoxy-propionic acid Formula: C27H27Mg2NO7S+4 MolecularWeight: 558.18078

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=C(C=C1)N(CC=CC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)C3=CC=CC=C3)C(=O)O.[Mg+2].[Mg+2]

Isomeric SMILES

CO[C@@H](CC1=CC=C(C=C1)N(C/C=C/C2=CC=C(C=C2)OS(=O)(=O)C)C(=O)C3=CC=CC=C3)C(=O)O.[Mg+2].[Mg+2]

InChI

InChI=1S/C27H27NO7S.2Mg/c1-34-25(27(30)31)19-21-10-14-23(15-11-21)28(26(29)22-8-4-3-5-9-22)18-6-7-20-12-16-24(17-13-20)35-36(2,32)33;;/h3-17,25H,18-19H2,1-2H3,(H,30,31);;/q;2*+2/b7-6+;;/t25-;;/m0../s1