4-methylsulfanyl-2-[[2-phenyl-4-(pyrimidin-5-ylcarbonylamino)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyrimidin-5-ylcarbonylamino)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyrimidine-5-carbonylamino)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[[oxo(5-pyrimidinyl)methyl]amino]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyrimidine-5-carbonylamino)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(pyrimidine-5-carbonylamino)benzoyl]amino]butyric acid Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)C2=CN=CN=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)C2=CN=CN=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H22N4O4S/c1-32-10-9-20(23(30)31)27-22(29)18-8-7-17(11-19(18)15-5-3-2-4-6-15)26-21(28)16-12-24-14-25-13-16/h2-8,11-14,20H,9-10H2,1H3,(H,26,28)(H,27,29)(H,30,31)