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

Systemtic Name: (3S)-3-azaniumyl-3-[2-(hexylamino)pyrimidin-5-yl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[2-(hexylamino)pyrimidin-5-yl]propanoate CAS Name: (3S)-3-ammonio-3-[2-(hexylamino)-5-pyrimidinyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[2-(hexylamino)pyrimidin-5-yl]propanoate Traditional Name: (3S)-3-ammonio-3-[2-(hexylamino)pyrimidin-5-yl]propionate Formula: C13H22N4O2 MolecularWeight: 266.33938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC=C(C=N1)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

CCCCCCNC1=NC=C(C=N1)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C13H22N4O2/c1-2-3-4-5-6-15-13-16-8-10(9-17-13)11(14)7-12(18)19/h8-9,11H,2-7,14H2,1H3,(H,18,19)(H,15,16,17)/t11-/m0/s1