2-azanyl-3-[3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid Openeye Name: 2-amino-3-[3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid CAS Name: 2-amino-3-[3-(phosphonomethyl)-2-quinoxalinyl]propanoic acid IUPAC Name: 2-amino-3-[3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid Traditional Name: 2-amino-3-[3-(phosphonomethyl)quinoxalin-2-yl]propionic acid Formula: C12H14N3O5P MolecularWeight: 311.230421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)CP(=O)(O)O)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)CP(=O)(O)O)CC(C(=O)O)N

InChI

InChI=1S/C12H14N3O5P/c13-7(12(16)17)5-10-11(6-21(18,19)20)15-9-4-2-1-3-8(9)14-10/h1-4,7H,5-6,13H2,(H,16,17)(H2,18,19,20)