3-methyl-2-[[4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]pentanoic acid

Systemtic Name: 3-methyl-2-[[4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]pentanoic acid Openeye Name: 3-methyl-2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[4-(methylthio)-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]pentanoic acid Traditional Name: 2-[[2-(4-ketoquinazolin-3-yl)-4-(methylthio)butanoyl]amino]-3-methyl-valeric acid Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(CCSC)N1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C(CCSC)N1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C19H25N3O4S/c1-4-12(2)16(19(25)26)21-17(23)15(9-10-27-3)22-11-20-14-8-6-5-7-13(14)18(22)24/h5-8,11-12,15-16H,4,9-10H2,1-3H3,(H,21,23)(H,25,26)