2-azanyl-3-[3-(phosphonomethoxy)-5-thiophen-2-yl-1,2-oxazol-4-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(phosphonomethoxy)-5-thiophen-2-yl-1,2-oxazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[3-(phosphonomethoxy)-5-(2-thienyl)isoxazol-4-yl]propanoic acid CAS Name: 2-amino-3-[3-(phosphonomethoxy)-5-thiophen-2-yl-4-isoxazolyl]propanoic acid IUPAC Name: 2-amino-3-[3-(phosphonomethoxy)-5-thiophen-2-yl-1,2-oxazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[3-(phosphonomethoxy)-5-(2-thienyl)isoxazol-4-yl]propionic acid Formula: C11H13N2O7PS MolecularWeight: 348.268881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(C(=NO2)OCP(=O)(O)O)CC(C(=O)O)N

Isomeric SMILES

C1=CSC(=C1)C2=C(C(=NO2)OCP(=O)(O)O)CC(C(=O)O)N

InChI

InChI=1S/C11H13N2O7PS/c12-7(11(14)15)4-6-9(8-2-1-3-22-8)20-13-10(6)19-5-21(16,17)18/h1-3,7H,4-5,12H2,(H,14,15)(H2,16,17,18)