(2R,3S)-3-oxidanyl-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]butanoate

Systemtic Name: (2R,3S)-3-oxidanyl-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]butanoate Openeye Name: (2R,3S)-3-hydroxy-2-[(2-isopropylquinazolin-4-yl)ammonio]butanoate CAS Name: (2R,3S)-3-hydroxy-2-[(2-propan-2-yl-4-quinazolinyl)ammonio]butanoate IUPAC Name: (2R,3S)-3-hydroxy-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]butanoate Traditional Name: (2R,3S)-3-hydroxy-2-[(2-isopropylquinazolin-4-yl)ammonio]butyrate Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=N1)[NH2+]C(C(C)O)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3/c1-8(2)13-16-11-7-5-4-6-10(11)14(18-13)17-12(9(3)19)15(20)21/h4-9,12,19H,1-3H3,(H,20,21)(H,16,17,18)/t9-,12+/m0/s1