3-methyl-2-[[3-(phosphonomethyl)phenyl]methylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[3-(phosphonomethyl)phenyl]methylamino]butanoic acid Openeye Name: 3-methyl-2-[[3-(phosphonomethyl)phenyl]methylamino]butanoic acid CAS Name: 3-methyl-2-[[3-(phosphonomethyl)phenyl]methylamino]butanoic acid IUPAC Name: 3-methyl-2-[[3-(phosphonomethyl)phenyl]methylamino]butanoic acid Traditional Name: 3-methyl-2-[[3-(phosphonomethyl)benzyl]amino]butyric acid Formula: C13H20NO5P MolecularWeight: 301.275361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=CC(=CC=C1)CP(=O)(O)O

Isomeric SMILES

CC(C)C(C(=O)O)NCC1=CC(=CC=C1)CP(=O)(O)O

InChI

InChI=1S/C13H20NO5P/c1-9(2)12(13(15)16)14-7-10-4-3-5-11(6-10)8-20(17,18)19/h3-6,9,12,14H,7-8H2,1-2H3,(H,15,16)(H2,17,18,19)