2-azanyl-3-[3-(dimethoxyphosphorylmethyl)-6,7-dimethyl-quinoxalin-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(dimethoxyphosphorylmethyl)-6,7-dimethyl-quinoxalin-2-yl]propanoic acid Openeye Name: 2-amino-3-[3-(dimethoxyphosphorylmethyl)-6,7-dimethyl-quinoxalin-2-yl]propanoic acid CAS Name: 2-amino-3-[3-(dimethoxyphosphorylmethyl)-6,7-dimethyl-2-quinoxalinyl]propanoic acid IUPAC Name: 2-amino-3-[3-(dimethoxyphosphorylmethyl)-6,7-dimethylquinoxalin-2-yl]propanoic acid Traditional Name: 2-amino-3-[3-(dimethoxyphosphorylmethyl)-6,7-dimethyl-quinoxalin-2-yl]propionic acid Formula: C16H22N3O5P MolecularWeight: 367.336741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(C(=N2)CC(C(=O)O)N)CP(=O)(OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(C(=N2)CC(C(=O)O)N)CP(=O)(OC)OC

InChI

InChI=1S/C16H22N3O5P/c1-9-5-12-13(6-10(9)2)19-15(8-25(22,23-3)24-4)14(18-12)7-11(17)16(20)21/h5-6,11H,7-8,17H2,1-4H3,(H,20,21)