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

Systemtic Name: 2-[[2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-3-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methyl-1-oxopentyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(2,4-diketo-1H-quinazolin-3-yl)-3-methyl-pentanoyl]amino]-4-(methylthio)butyric acid Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5S/c1-4-11(2)15(16(23)20-14(18(25)26)9-10-28-3)22-17(24)12-7-5-6-8-13(12)21-19(22)27/h5-8,11,14-15H,4,9-10H2,1-3H3,(H,20,23)(H,21,27)(H,25,26)