(2S,3S)-3-methyl-2-(quinazolin-4-ylazaniumyl)pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-(quinazolin-4-ylazaniumyl)pentanoate Openeye Name: (2S,3S)-3-methyl-2-(quinazolin-4-ylammonio)pentanoate CAS Name: (2S,3S)-3-methyl-2-(4-quinazolinylammonio)pentanoate IUPAC Name: (2S,3S)-3-methyl-2-(quinazolin-4-ylazaniumyl)pentanoate Traditional Name: (2S,3S)-3-methyl-2-(quinazolin-4-ylammonio)valerate Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2/c1-3-9(2)12(14(18)19)17-13-10-6-4-5-7-11(10)15-8-16-13/h4-9,12H,3H2,1-2H3,(H,18,19)(H,15,16,17)/t9-,12-/m0/s1