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

Systemtic Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(methylsulfonylamino)phenyl]propanoic acid Openeye Name: 3-[4-(methanesulfonamido)-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-(methanesulfonamido)-2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-(methanesulfonamido)-2-[(3-methyl-1-phenylbutyl)carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-(methanesulfonamido)-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propionic acid Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-15(2)13-20(17-7-5-4-6-8-17)23-22(27)19-14-18(24-30(3,28)29)11-9-16(19)10-12-21(25)26/h4-9,11,14-15,20,24H,10,12-13H2,1-3H3,(H,23,27)(H,25,26)