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

Systemtic Name: 2-[[2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-(methylthio)-1-oxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(2,4-diketo-1H-quinazolin-3-yl)-4-(methylthio)butanoyl]amino]-3-methyl-butyric acid Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CCSC)N1C(=O)C2=CC=CC=C2NC1=O

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CCSC)N1C(=O)C2=CC=CC=C2NC1=O

InChI

InChI=1S/C18H23N3O5S/c1-10(2)14(17(24)25)20-15(22)13(8-9-27-3)21-16(23)11-6-4-5-7-12(11)19-18(21)26/h4-7,10,13-14H,8-9H2,1-3H3,(H,19,26)(H,20,22)(H,24,25)