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

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyrazin-2-ylcarbonylamino)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyrazine-2-carbonylamino)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[[oxo(2-pyrazinyl)methyl]amino]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyrazine-2-carbonylamino)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(pyrazinoylamino)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=NC=CN=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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