(2R)-2-[(6-methylquinazolin-4-yl)azaniumyl]-3-oxidanyl-propanoate

Systemtic Name: (2R)-2-[(6-methylquinazolin-4-yl)azaniumyl]-3-oxidanyl-propanoate Openeye Name: (2R)-3-hydroxy-2-[(6-methylquinazolin-4-yl)ammonio]propanoate CAS Name: (2R)-3-hydroxy-2-[(6-methyl-4-quinazolinyl)ammonio]propanoate IUPAC Name: (2R)-3-hydroxy-2-[(6-methylquinazolin-4-yl)azaniumyl]propanoate Traditional Name: (2R)-3-hydroxy-2-[(6-methylquinazolin-4-yl)ammonio]propionate Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=CN=C2[NH2+]C(CO)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=CN=C2[NH2+][C@H](CO)C(=O)[O-]

InChI

InChI=1S/C12H13N3O3/c1-7-2-3-9-8(4-7)11(14-6-13-9)15-10(5-16)12(17)18/h2-4,6,10,16H,5H2,1H3,(H,17,18)(H,13,14,15)/t10-/m1/s1