2-azanyl-2-[4-[(4-methylphenyl)carbonylamino]phenyl]sulfonyl-3-[(2-methylpropan-2-yl)oxy]propanoic acid

Systemtic Name: 2-azanyl-2-[4-[(4-methylphenyl)carbonylamino]phenyl]sulfonyl-3-[(2-methylpropan-2-yl)oxy]propanoic acid Openeye Name: 2-amino-3-tert-butoxy-2-[4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-propanoic acid CAS Name: 2-amino-2-[4-[[(4-methylphenyl)-oxomethyl]amino]phenyl]sulfonyl-3-[(2-methylpropan-2-yl)oxy]propanoic acid IUPAC Name: 2-amino-2-[4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-3-[(2-methylpropan-2-yl)oxy]propanoic acid Traditional Name: 2-amino-3-tert-butoxy-2-[4-(p-toluoylamino)phenyl]sulfonyl-propionic acid Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C(COC(C)(C)C)(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C(COC(C)(C)C)(C(=O)O)N

InChI

InChI=1S/C21H26N2O6S/c1-14-5-7-15(8-6-14)18(24)23-16-9-11-17(12-10-16)30(27,28)21(22,19(25)26)13-29-20(2,3)4/h5-12H,13,22H2,1-4H3,(H,23,24)(H,25,26)