(2S)-4-methyl-2-(7H-purin-6-ylazaniumyl)pentanoate

Systemtic Name: (2S)-4-methyl-2-(7H-purin-6-ylazaniumyl)pentanoate Openeye Name: (2S)-4-methyl-2-(7H-purin-6-ylammonio)pentanoate CAS Name: (2S)-4-methyl-2-(7H-purin-6-ylammonio)pentanoate IUPAC Name: (2S)-4-methyl-2-(7H-purin-6-ylazaniumyl)pentanoate Traditional Name: (2S)-4-methyl-2-(7H-purin-6-ylammonio)valerate Formula: C11H15N5O2 MolecularWeight: 249.2691

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])[NH2+]C1=NC=NC2=C1NC=N2

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])[NH2+]C1=NC=NC2=C1NC=N2

InChI

InChI=1S/C11H15N5O2/c1-6(2)3-7(11(17)18)16-10-8-9(13-4-12-8)14-5-15-10/h4-7H,3H2,1-2H3,(H,17,18)(H2,12,13,14,15,16)/t7-/m0/s1