2-[[3-methyl-2-(4-oxidanylidenequinazolin-3-yl)pentanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[3-methyl-2-(4-oxidanylidenequinazolin-3-yl)pentanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)pentyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(4-ketoquinazolin-3-yl)-3-methyl-pentanoyl]amino]-4-(methylthio)butyric acid Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-4-12(2)16(17(23)21-15(19(25)26)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)