(2S,3S)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(6,7-dimethoxyquinazolin-4-yl)ammonio]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[(6,7-dimethoxy-4-quinazolinyl)ammonio]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(6,7-dimethoxyquinazolin-4-yl)ammonio]-3-methyl-valerate Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])[NH2+]C1=NC=NC2=CC(=C(C=C21)OC)OC

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])[NH2+]C1=NC=NC2=CC(=C(C=C21)OC)OC

InChI

InChI=1S/C16H21N3O4/c1-5-9(2)14(16(20)21)19-15-10-6-12(22-3)13(23-4)7-11(10)17-8-18-15/h6-9,14H,5H2,1-4H3,(H,20,21)(H,17,18,19)/t9-,14-/m0/s1