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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=C(C=N1)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

CCCCNC1=NC=C(C=N1)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C11H18N4O2/c1-2-3-4-13-11-14-6-8(7-15-11)9(12)5-10(16)17/h6-7,9H,2-5,12H2,1H3,(H,16,17)(H,13,14,15)/t9-/m0/s1