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

Systemtic Name: 2-azanyl-3-[3-(2-phosphonoethyl)quinoxalin-2-yl]propanoic acid Openeye Name: 2-amino-3-[3-(2-phosphonoethyl)quinoxalin-2-yl]propanoic acid CAS Name: 2-amino-3-[3-(2-phosphonoethyl)-2-quinoxalinyl]propanoic acid IUPAC Name: 2-amino-3-[3-(2-phosphonoethyl)quinoxalin-2-yl]propanoic acid Traditional Name: 2-amino-3-[3-(2-phosphonoethyl)quinoxalin-2-yl]propionic acid Formula: C13H16N3O5P MolecularWeight: 325.257001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N3O5P/c14-8(13(17)18)7-12-11(5-6-22(19,20)21)15-9-3-1-2-4-10(9)16-12/h1-4,8H,5-7,14H2,(H,17,18)(H2,19,20,21)