(2S)-4-methylsulfanyl-2-(quinazolin-4-ylazaniumyl)butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-(quinazolin-4-ylazaniumyl)butanoate Openeye Name: (2S)-4-methylsulfanyl-2-(quinazolin-4-ylammonio)butanoate CAS Name: (2S)-4-(methylthio)-2-(4-quinazolinylammonio)butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-(quinazolin-4-ylazaniumyl)butanoate Traditional Name: (2S)-4-(methylthio)-2-(quinazolin-4-ylammonio)butyrate Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])[NH2+]C1=NC=NC2=CC=CC=C21

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])[NH2+]C1=NC=NC2=CC=CC=C21

InChI

InChI=1S/C13H15N3O2S/c1-19-7-6-11(13(17)18)16-12-9-4-2-3-5-10(9)14-8-15-12/h2-5,8,11H,6-7H2,1H3,(H,17,18)(H,14,15,16)/t11-/m0/s1