(2S)-5-azanyl-5-oxidanylidene-2-(quinazolin-4-ylazaniumyl)pentanoate

Systemtic Name: (2S)-5-azanyl-5-oxidanylidene-2-(quinazolin-4-ylazaniumyl)pentanoate Openeye Name: (2S)-5-amino-5-oxo-2-(quinazolin-4-ylammonio)pentanoate CAS Name: (2S)-5-amino-5-oxo-2-(4-quinazolinylammonio)pentanoate IUPAC Name: (2S)-5-amino-5-oxo-2-(quinazolin-4-ylazaniumyl)pentanoate Traditional Name: (2S)-5-amino-5-keto-2-(quinazolin-4-ylammonio)valerate Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)[NH2+]C(CCC(=O)N)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)[NH2+][C@@H](CCC(=O)N)C(=O)[O-]

InChI

InChI=1S/C13H14N4O3/c14-11(18)6-5-10(13(19)20)17-12-8-3-1-2-4-9(8)15-7-16-12/h1-4,7,10H,5-6H2,(H2,14,18)(H,19,20)(H,15,16,17)/t10-/m0/s1