2-(3-aminophenyl)-3-[[2-methyl-1-(3-phenylpropylsulfonylamino)propyl]-oxidanyl-phosphoryl]propanoic acid

Systemtic Name: 2-(3-aminophenyl)-3-[[2-methyl-1-(3-phenylpropylsulfonylamino)propyl]-oxidanyl-phosphoryl]propanoic acid Openeye Name: 2-(3-aminophenyl)-3-[hydroxy-[2-methyl-1-(3-phenylpropylsulfonylamino)propyl]phosphoryl]propanoic acid CAS Name: 2-(3-aminophenyl)-3-[hydroxy-[2-methyl-1-(3-phenylpropylsulfonylamino)propyl]phosphoryl]propanoic acid IUPAC Name: 2-(3-aminophenyl)-3-[hydroxy-[2-methyl-1-(3-phenylpropylsulfonylamino)propyl]phosphoryl]propanoic acid Traditional Name: 2-(3-aminophenyl)-3-[hydroxy-[2-methyl-1-(3-phenylpropylsulfonylamino)propyl]phosphoryl]propionic acid Formula: C22H31N2O6PS MolecularWeight: 482.530101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NS(=O)(=O)CCCC1=CC=CC=C1)P(=O)(CC(C2=CC(=CC=C2)N)C(=O)O)O

Isomeric SMILES

CC(C)C(NS(=O)(=O)CCCC1=CC=CC=C1)P(=O)(CC(C2=CC(=CC=C2)N)C(=O)O)O

InChI

InChI=1S/C22H31N2O6PS/c1-16(2)21(24-32(29,30)13-7-10-17-8-4-3-5-9-17)31(27,28)15-20(22(25)26)18-11-6-12-19(23)14-18/h3-6,8-9,11-12,14,16,20-21,24H,7,10,13,15,23H2,1-2H3,(H,25,26)(H,27,28)