(2S,3S)-3-oxidanyl-2-(quinazolin-4-ylazaniumyl)butanoate

Systemtic Name: (2S,3S)-3-oxidanyl-2-(quinazolin-4-ylazaniumyl)butanoate Openeye Name: (2S,3S)-3-hydroxy-2-(quinazolin-4-ylammonio)butanoate CAS Name: (2S,3S)-3-hydroxy-2-(4-quinazolinylammonio)butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-(quinazolin-4-ylazaniumyl)butanoate Traditional Name: (2S,3S)-3-hydroxy-2-(quinazolin-4-ylammonio)butyrate Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3/c1-7(16)10(12(17)18)15-11-8-4-2-3-5-9(8)13-6-14-11/h2-7,10,16H,1H3,(H,17,18)(H,13,14,15)/t7-,10-/m0/s1