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

Systemtic Name: 2-[[2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-4-methylsulfanyl-butanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanyl-butanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-(methylthio)-1-oxobutyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-(2,4-diketo-1H-quinazolin-3-yl)-4-(methylthio)butanoyl]amino]-3-methyl-valeric acid Formula: C19H25N3O5S MolecularWeight: 407.4839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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