2-(3-azanyl-2-methyl-phenyl)-3-[[2-methyl-1-(phenylsulfonylamino)propyl]-oxidanyl-phosphoryl]propanoic acid

Systemtic Name: 2-(3-azanyl-2-methyl-phenyl)-3-[[2-methyl-1-(phenylsulfonylamino)propyl]-oxidanyl-phosphoryl]propanoic acid Openeye Name: 2-(3-amino-2-methyl-phenyl)-3-[[1-(benzenesulfonamido)-2-methyl-propyl]-hydroxy-phosphoryl]propanoic acid CAS Name: 2-(3-amino-2-methylphenyl)-3-[[1-(benzenesulfonamido)-2-methylpropyl]-hydroxyphosphoryl]propanoic acid IUPAC Name: 2-(3-amino-2-methylphenyl)-3-[[1-(benzenesulfonamido)-2-methylpropyl]-hydroxyphosphoryl]propanoic acid Traditional Name: 2-(3-amino-2-methyl-phenyl)-3-[[1-(benzenesulfonamido)-2-methyl-propyl]-hydroxy-phosphoryl]propionic acid Formula: C20H27N2O6PS MolecularWeight: 454.476941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N)C(CP(=O)(C(C(C)C)NS(=O)(=O)C2=CC=CC=C2)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1N)C(CP(=O)(C(C(C)C)NS(=O)(=O)C2=CC=CC=C2)O)C(=O)O

InChI

InChI=1S/C20H27N2O6PS/c1-13(2)19(22-30(27,28)15-8-5-4-6-9-15)29(25,26)12-17(20(23)24)16-10-7-11-18(21)14(16)3/h4-11,13,17,19,22H,12,21H2,1-3H3,(H,23,24)(H,25,26)