3-azanyl-3-[2-(phenylsulfonylamino)pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-azanyl-3-[2-(phenylsulfonylamino)pyrimidin-5-yl]propanoic acid Openeye Name: 3-amino-3-[2-(benzenesulfonamido)pyrimidin-5-yl]propanoic acid CAS Name: 3-amino-3-[2-(benzenesulfonamido)-5-pyrimidinyl]propanoic acid IUPAC Name: 3-amino-3-[2-(benzenesulfonamido)pyrimidin-5-yl]propanoic acid Traditional Name: 3-amino-3-[2-(benzenesulfonamido)pyrimidin-5-yl]propionic acid Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=N2)C(CC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=N2)C(CC(=O)O)N

InChI

InChI=1S/C13H14N4O4S/c14-11(6-12(18)19)9-7-15-13(16-8-9)17-22(20,21)10-4-2-1-3-5-10/h1-5,7-8,11H,6,14H2,(H,18,19)(H,15,16,17)