(2R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]octanoic acid

Systemtic Name: (2R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]octanoic acid Openeye Name: (2R,4S)-4-tert-butoxycarbonyl-2-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]octanoic acid CAS Name: (2R,4S)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]octanoic acid IUPAC Name: (2R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]octanoic acid Traditional Name: (2R,4S)-4-tert-butoxycarbonyl-2-[2-[4-(4-mesylphenyl)phenyl]ethyl]caprylic acid Formula: C28H38O6S MolecularWeight: 502.66272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(CCC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC[C@@H](C[C@@H](CCC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H38O6S/c1-6-7-8-24(27(31)34-28(2,3)4)19-23(26(29)30)14-11-20-9-12-21(13-10-20)22-15-17-25(18-16-22)35(5,32)33/h9-10,12-13,15-18,23-24H,6-8,11,14,19H2,1-5H3,(H,29,30)/t23-,24+/m1/s1