2-azanyl-3-[3,5-dimethyl-2-(2-phosphonoethyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3,5-dimethyl-2-(2-phosphonoethyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[3,5-dimethyl-2-(2-phosphonoethyl)phenyl]propanoic acid CAS Name: 2-amino-3-[3,5-dimethyl-2-(2-phosphonoethyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3,5-dimethyl-2-(2-phosphonoethyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[3,5-dimethyl-2-(2-phosphonoethyl)phenyl]propionic acid Formula: C13H20NO5P MolecularWeight: 301.275361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CC(C(=O)O)N)CCP(=O)(O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CC(C(=O)O)N)CCP(=O)(O)O)C

InChI

InChI=1S/C13H20NO5P/c1-8-5-9(2)11(3-4-20(17,18)19)10(6-8)7-12(14)13(15)16/h5-6,12H,3-4,7,14H2,1-2H3,(H,15,16)(H2,17,18,19)