(2R,3S)-2-[(7-methoxyquinazolin-4-yl)azaniumyl]-3-oxidanyl-butanoate

Systemtic Name: (2R,3S)-2-[(7-methoxyquinazolin-4-yl)azaniumyl]-3-oxidanyl-butanoate Openeye Name: (2R,3S)-3-hydroxy-2-[(7-methoxyquinazolin-4-yl)ammonio]butanoate CAS Name: (2R,3S)-3-hydroxy-2-[(7-methoxy-4-quinazolinyl)ammonio]butanoate IUPAC Name: (2R,3S)-3-hydroxy-2-[(7-methoxyquinazolin-4-yl)azaniumyl]butanoate Traditional Name: (2R,3S)-3-hydroxy-2-[(7-methoxyquinazolin-4-yl)ammonio]butyrate Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])[NH2+]C1=NC=NC2=C1C=CC(=C2)OC)O

Isomeric SMILES

C[C@@H]([C@H](C(=O)[O-])[NH2+]C1=NC=NC2=C1C=CC(=C2)OC)O

InChI

InChI=1S/C13H15N3O4/c1-7(17)11(13(18)19)16-12-9-4-3-8(20-2)5-10(9)14-6-15-12/h3-7,11,17H,1-2H3,(H,18,19)(H,14,15,16)/t7-,11+/m0/s1