3-[[(2S)-2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-4-methylsulfanyl-butanoyl]amino]propanoate

Systemtic Name: 3-[[(2S)-2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-4-methylsulfanyl-butanoyl]amino]propanoate Openeye Name: 3-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanyl-butanoyl]amino]propanoate CAS Name: 3-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-(methylthio)-1-oxobutyl]amino]propanoate IUPAC Name: 3-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]propanoate Traditional Name: 3-[[(2S)-2-(2,4-diketo-1H-quinazolin-3-yl)-4-(methylthio)butanoyl]amino]propionate Formula: C16H18N3O5S- MolecularWeight: 364.39622

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCC(=O)[O-])N1C(=O)C2=CC=CC=C2NC1=O

Isomeric SMILES

CSCC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)C2=CC=CC=C2NC1=O

InChI

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