(2R,3S)-2-[(6-ethylquinazolin-4-yl)azaniumyl]-3-oxidanyl-butanoate

Systemtic Name: (2R,3S)-2-[(6-ethylquinazolin-4-yl)azaniumyl]-3-oxidanyl-butanoate Openeye Name: (2R,3S)-2-[(6-ethylquinazolin-4-yl)ammonio]-3-hydroxy-butanoate CAS Name: (2R,3S)-2-[(6-ethyl-4-quinazolinyl)ammonio]-3-hydroxybutanoate IUPAC Name: (2R,3S)-2-[(6-ethylquinazolin-4-yl)azaniumyl]-3-hydroxybutanoate Traditional Name: (2R,3S)-2-[(6-ethylquinazolin-4-yl)ammonio]-3-hydroxy-butyrate Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=CN=C2[NH2+]C(C(C)O)C(=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)N=CN=C2[NH2+][C@H]([C@H](C)O)C(=O)[O-]

InChI

InChI=1S/C14H17N3O3/c1-3-9-4-5-11-10(6-9)13(16-7-15-11)17-12(8(2)18)14(19)20/h4-8,12,18H,3H2,1-2H3,(H,19,20)(H,15,16,17)/t8-,12+/m0/s1