(2S)-2-[3-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]propanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[3-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]propanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[3-(2,4-dioxo-1H-quinazolin-3-yl)propanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-(2,4-dioxo-1H-quinazolin-3-yl)-1-oxopropyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[3-(2,4-dioxo-1H-quinazolin-3-yl)propanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[3-(2,4-diketo-1H-quinazolin-3-yl)propanoylamino]-4-(methylthio)butyrate Formula: C16H18N3O5S- MolecularWeight: 364.39622

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)CCN1C(=O)C2=CC=CC=C2NC1=O

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)CCN1C(=O)C2=CC=CC=C2NC1=O

InChI

InChI=1S/C16H19N3O5S/c1-25-9-7-12(15(22)23)17-13(20)6-8-19-14(21)10-4-2-3-5-11(10)18-16(19)24/h2-5,12H,6-9H2,1H3,(H,17,20)(H,18,24)(H,22,23)/p-1/t12-/m0/s1