3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-propan-2-ylsulfonyloxy-phenyl]propanoic acid

Systemtic Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-propan-2-ylsulfonyloxy-phenyl]propanoic acid Openeye Name: 3-[4-isopropylsulfonyloxy-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid CAS Name: 3-[2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]-4-propan-2-ylsulfonyloxyphenyl]propanoic acid IUPAC Name: 3-[2-[(3-methyl-1-phenylbutyl)carbamoyl]-4-propan-2-ylsulfonyloxyphenyl]propanoic acid Traditional Name: 3-[4-isopropylsulfonyloxy-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propionic acid Formula: C24H31NO6S MolecularWeight: 461.57104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)OS(=O)(=O)C(C)C)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)OS(=O)(=O)C(C)C)CCC(=O)O

InChI

InChI=1S/C24H31NO6S/c1-16(2)14-22(19-8-6-5-7-9-19)25-24(28)21-15-20(31-32(29,30)17(3)4)12-10-18(21)11-13-23(26)27/h5-10,12,15-17,22H,11,13-14H2,1-4H3,(H,25,28)(H,26,27)