(2R)-2-[[4-[(4-methylsulfanylphenyl)carbonylamino]phenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[4-[(4-methylsulfanylphenyl)carbonylamino]phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[4-[[[4-(methylthio)phenyl]-oxomethyl]amino]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[4-[[4-(methylthio)benzoyl]amino]phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N[C@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H22N2O5S2/c1-31-19-11-7-17(8-12-19)22(26)24-18-9-13-20(14-10-18)32(29,30)25-21(23(27)28)15-16-5-3-2-4-6-16/h2-14,21,25H,15H2,1H3,(H,24,26)(H,27,28)/t21-/m1/s1