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

Systemtic Name: 4-[[(2S)-2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-4-methylsulfanyl-butanoyl]amino]butanoate Openeye Name: 4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanyl-butanoyl]amino]butanoate CAS Name: 4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-(methylthio)-1-oxobutyl]amino]butanoate IUPAC Name: 4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]butanoate Traditional Name: 4-[[(2S)-2-(2,4-diketo-1H-quinazolin-3-yl)-4-(methylthio)butanoyl]amino]butyrate Formula: C17H20N3O5S- MolecularWeight: 378.4228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S/c1-26-10-8-13(15(23)18-9-4-7-14(21)22)20-16(24)11-5-2-3-6-12(11)19-17(20)25/h2-3,5-6,13H,4,7-10H2,1H3,(H,18,23)(H,19,25)(H,21,22)/p-1/t13-/m0/s1