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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)CCCN1C(=O)C2=CC=CC=C2NC1=O

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)CCCN1C(=O)C2=CC=CC=C2NC1=O

InChI

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