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

Systemtic Name: (2S,3S)-2-[(6-bromanylquinazolin-4-yl)azaniumyl]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(6-bromoquinazolin-4-yl)ammonio]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[(6-bromo-4-quinazolinyl)ammonio]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(6-bromoquinazolin-4-yl)azaniumyl]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(6-bromoquinazolin-4-yl)ammonio]-3-methyl-valerate Formula: C14H16BrN3O2 MolecularWeight: 338.19974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])[NH2+]C1=NC=NC2=C1C=C(C=C2)Br

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])[NH2+]C1=NC=NC2=C1C=C(C=C2)Br

InChI

InChI=1S/C14H16BrN3O2/c1-3-8(2)12(14(19)20)18-13-10-6-9(15)4-5-11(10)16-7-17-13/h4-8,12H,3H2,1-2H3,(H,19,20)(H,16,17,18)/t8-,12-/m0/s1