2-azanyl-3-[4-methyl-2-(2-phosphonoethyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-methyl-2-(2-phosphonoethyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-methyl-2-(2-phosphonoethyl)phenyl]propanoic acid CAS Name: 2-amino-3-[4-methyl-2-(2-phosphonoethyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-methyl-2-(2-phosphonoethyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-methyl-2-(2-phosphonoethyl)phenyl]propionic acid Formula: C12H18NO5P MolecularWeight: 287.248781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18NO5P/c1-8-2-3-9(7-11(13)12(14)15)10(6-8)4-5-19(16,17)18/h2-3,6,11H,4-5,7,13H2,1H3,(H,14,15)(H2,16,17,18)