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(2R)-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]pentanedioate

(2R)-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]pentanedioate

Systemtic Name:(2R)-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]pentanedioate
Openeye Name:(2R)-2-[(2-isopropylquinazolin-4-yl)ammonio]pentanedioate
CAS Name:(2R)-2-[(2-propan-2-yl-4-quinazolinyl)ammonio]pentanedioate
IUPAC Name:(2R)-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]pentanedioate
Traditional Name:(2R)-2-[(2-isopropylquinazolin-4-yl)ammonio]glutarate
Formula: C16H18N3O4-
MolecularWeight: 316.33182
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H19N3O4/c1-9(2)14-17-11-6-4-3-5-10(11)15(19-14)18-12(16(22)23)7-8-13(20)21/h3-6,9,12H,7-8H2,1-2H3,(H,20,21)(H,22,23)(H,17,18,19)/p-1/t12-/m1/s1


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