(3S)-3-azaniumyl-3-[2-(2-methylpropylamino)pyrimidin-5-yl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[2-(2-methylpropylamino)pyrimidin-5-yl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[2-(isobutylamino)pyrimidin-5-yl]propanoate CAS Name: (3S)-3-ammonio-3-[2-(2-methylpropylamino)-5-pyrimidinyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[2-(2-methylpropylamino)pyrimidin-5-yl]propanoate Traditional Name: (3S)-3-ammonio-3-[2-(isobutylamino)pyrimidin-5-yl]propionate Formula: C11H18N4O2 MolecularWeight: 238.28622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC=C(C=N1)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)CNC1=NC=C(C=N1)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C11H18N4O2/c1-7(2)4-13-11-14-5-8(6-15-11)9(12)3-10(16)17/h5-7,9H,3-4,12H2,1-2H3,(H,16,17)(H,13,14,15)/t9-/m0/s1