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

Systemtic Name: 2-[[2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-(methylthio)-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(2,4-diketo-1H-quinazolin-3-yl)-4-(methylthio)butanoyl]amino]-3-phenyl-propionic acid Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N2C(=O)C3=CC=CC=C3NC2=O

Isomeric SMILES

CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N2C(=O)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C22H23N3O5S/c1-31-12-11-18(25-20(27)15-9-5-6-10-16(15)24-22(25)30)19(26)23-17(21(28)29)13-14-7-3-2-4-8-14/h2-10,17-18H,11-13H2,1H3,(H,23,26)(H,24,30)(H,28,29)