2-azanyl-3-[6,7-dimethoxy-3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[6,7-dimethoxy-3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid Openeye Name: 2-amino-3-[6,7-dimethoxy-3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid CAS Name: 2-amino-3-[6,7-dimethoxy-3-(phosphonomethyl)-2-quinoxalinyl]propanoic acid IUPAC Name: 2-amino-3-[6,7-dimethoxy-3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid Traditional Name: 2-amino-3-[6,7-dimethoxy-3-(phosphonomethyl)quinoxalin-2-yl]propionic acid Formula: C14H18N3O7P MolecularWeight: 371.282381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(C(=N2)CP(=O)(O)O)CC(C(=O)O)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(C(=N2)CP(=O)(O)O)CC(C(=O)O)N)OC

InChI

InChI=1S/C14H18N3O7P/c1-23-12-4-9-10(5-13(12)24-2)17-11(6-25(20,21)22)8(16-9)3-7(15)14(18)19/h4-5,7H,3,6,15H2,1-2H3,(H,18,19)(H2,20,21,22)