(2S,3S)-2-[(6-ethylquinazolin-4-yl)azaniumyl]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[(6-ethylquinazolin-4-yl)azaniumyl]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(6-ethylquinazolin-4-yl)ammonio]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[(6-ethyl-4-quinazolinyl)ammonio]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(6-ethylquinazolin-4-yl)azaniumyl]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(6-ethylquinazolin-4-yl)ammonio]-3-methyl-valerate Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-4-10(3)14(16(20)21)19-15-12-8-11(5-2)6-7-13(12)17-9-18-15/h6-10,14H,4-5H2,1-3H3,(H,20,21)(H,17,18,19)/t10-,14-/m0/s1