2-[[2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-2-phenyl-ethanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-2-phenyl-ethanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-2-phenyl-acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-1-oxo-2-phenylethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-2-phenylacetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(2,4-diketo-1H-quinazolin-3-yl)-2-phenyl-acetyl]amino]-4-(methylthio)butyric acid Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3NC2=O

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C21H21N3O5S/c1-30-12-11-16(20(27)28)22-18(25)17(13-7-3-2-4-8-13)24-19(26)14-9-5-6-10-15(14)23-21(24)29/h2-10,16-17H,11-12H2,1H3,(H,22,25)(H,23,29)(H,27,28)