4-[[3-methyl-2-oxidanyl-6-(phosphonooxymethyl)phenyl]methylamino]butanoic acid

Systemtic Name: 4-[[3-methyl-2-oxidanyl-6-(phosphonooxymethyl)phenyl]methylamino]butanoic acid Openeye Name: 4-[[2-hydroxy-3-methyl-6-(phosphonooxymethyl)phenyl]methylamino]butanoic acid CAS Name: 4-[[2-hydroxy-3-methyl-6-(phosphonooxymethyl)phenyl]methylamino]butanoic acid IUPAC Name: 4-[[2-hydroxy-3-methyl-6-(phosphonooxymethyl)phenyl]methylamino]butanoic acid Traditional Name: 4-[[2-hydroxy-3-methyl-6-(phosphonooxymethyl)benzyl]amino]butyric acid Formula: C13H20NO7P MolecularWeight: 333.274161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)COP(=O)(O)O)CNCCCC(=O)O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)COP(=O)(O)O)CNCCCC(=O)O)O

InChI

InChI=1S/C13H20NO7P/c1-9-4-5-10(8-21-22(18,19)20)11(13(9)17)7-14-6-2-3-12(15)16/h4-5,14,17H,2-3,6-8H2,1H3,(H,15,16)(H2,18,19,20)