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

Systemtic Name: 2-(3-azanyl-2-methyl-phenyl)-3-[[2-methyl-1-(2-phenylmethoxyethylsulfonylamino)propyl]-oxidanyl-phosphoryl]propanoic acid Openeye Name: 2-(3-amino-2-methyl-phenyl)-3-[[1-(2-benzyloxyethylsulfonylamino)-2-methyl-propyl]-hydroxy-phosphoryl]propanoic acid CAS Name: 2-(3-amino-2-methylphenyl)-3-[hydroxy-[2-methyl-1-(2-phenylmethoxyethylsulfonylamino)propyl]phosphoryl]propanoic acid IUPAC Name: 2-(3-amino-2-methylphenyl)-3-[hydroxy-[2-methyl-1-(2-phenylmethoxyethylsulfonylamino)propyl]phosphoryl]propanoic acid Traditional Name: 2-(3-amino-2-methyl-phenyl)-3-[[1-(2-benzoxyethylsulfonylamino)-2-methyl-propyl]-hydroxy-phosphoryl]propionic acid Formula: C23H33N2O7PS MolecularWeight: 512.556081

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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)CCOCC2=CC=CC=C2)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1N)C(CP(=O)(C(C(C)C)NS(=O)(=O)CCOCC2=CC=CC=C2)O)C(=O)O

InChI

InChI=1S/C23H33N2O7PS/c1-16(2)22(25-34(30,31)13-12-32-14-18-8-5-4-6-9-18)33(28,29)15-20(23(26)27)19-10-7-11-21(24)17(19)3/h4-11,16,20,22,25H,12-15,24H2,1-3H3,(H,26,27)(H,28,29)