2-azanyl-2-(2-pyrimidin-2-ylsulfinylpropanoyl)hexanoic acid

Systemtic Name: 2-azanyl-2-(2-pyrimidin-2-ylsulfinylpropanoyl)hexanoic acid Openeye Name: 2-amino-2-(2-pyrimidin-2-ylsulfinylpropanoyl)hexanoic acid CAS Name: 2-amino-2-[1-oxo-2-(2-pyrimidinylsulfinyl)propyl]hexanoic acid IUPAC Name: 2-amino-2-(2-pyrimidin-2-ylsulfinylpropanoyl)hexanoic acid Traditional Name: 2-amino-2-[2-(2-pyrimidylsulfinyl)propanoyl]hexanoic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(C)S(=O)C1=NC=CC=N1)(C(=O)O)N

Isomeric SMILES

CCCCC(C(=O)C(C)S(=O)C1=NC=CC=N1)(C(=O)O)N

InChI

InChI=1S/C13H19N3O4S/c1-3-4-6-13(14,11(18)19)10(17)9(2)21(20)12-15-7-5-8-16-12/h5,7-9H,3-4,6,14H2,1-2H3,(H,18,19)