2-(3-azanyl-2-methyl-phenyl)-3-[[2-methyl-1-(4-phenylbutylsulfonylamino)propyl]-oxidanyl-phosphoryl]propanoic acid

Systemtic Name: 2-(3-azanyl-2-methyl-phenyl)-3-[[2-methyl-1-(4-phenylbutylsulfonylamino)propyl]-oxidanyl-phosphoryl]propanoic acid Openeye Name: 2-(3-amino-2-methyl-phenyl)-3-[hydroxy-[2-methyl-1-(4-phenylbutylsulfonylamino)propyl]phosphoryl]propanoic acid CAS Name: 2-(3-amino-2-methylphenyl)-3-[hydroxy-[2-methyl-1-(4-phenylbutylsulfonylamino)propyl]phosphoryl]propanoic acid IUPAC Name: 2-(3-amino-2-methylphenyl)-3-[hydroxy-[2-methyl-1-(4-phenylbutylsulfonylamino)propyl]phosphoryl]propanoic acid Traditional Name: 2-(3-amino-2-methyl-phenyl)-3-[hydroxy-[2-methyl-1-(4-phenylbutylsulfonylamino)propyl]phosphoryl]propionic acid Formula: C24H35N2O6PS MolecularWeight: 510.583261

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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)CCCCC2=CC=CC=C2)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1N)C(CP(=O)(C(C(C)C)NS(=O)(=O)CCCCC2=CC=CC=C2)O)C(=O)O

InChI

InChI=1S/C24H35N2O6PS/c1-17(2)23(26-34(31,32)15-8-7-12-19-10-5-4-6-11-19)33(29,30)16-21(24(27)28)20-13-9-14-22(25)18(20)3/h4-6,9-11,13-14,17,21,23,26H,7-8,12,15-16,25H2,1-3H3,(H,27,28)(H,29,30)