2-[3-(aminomethyl)phenyl]-3-[[2-methyl-1-[[3-(trifluoromethyl)phenyl]sulfonylamino]propyl]-oxidanyl-phosphoryl]propanoic acid

Systemtic Name: 2-[3-(aminomethyl)phenyl]-3-[[2-methyl-1-[[3-(trifluoromethyl)phenyl]sulfonylamino]propyl]-oxidanyl-phosphoryl]propanoic acid Openeye Name: 2-[3-(aminomethyl)phenyl]-3-[hydroxy-[2-methyl-1-[[3-(trifluoromethyl)phenyl]sulfonylamino]propyl]phosphoryl]propanoic acid CAS Name: 2-[3-(aminomethyl)phenyl]-3-[hydroxy-[2-methyl-1-[[3-(trifluoromethyl)phenyl]sulfonylamino]propyl]phosphoryl]propanoic acid IUPAC Name: 2-[3-(aminomethyl)phenyl]-3-[hydroxy-[2-methyl-1-[[3-(trifluoromethyl)phenyl]sulfonylamino]propyl]phosphoryl]propanoic acid Traditional Name: 2-[3-(aminomethyl)phenyl]-3-[hydroxy-[2-methyl-1-[[3-(trifluoromethyl)phenyl]sulfonylamino]propyl]phosphoryl]propionic acid Formula: C21H26F3N2O6PS MolecularWeight: 522.474911

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F)P(=O)(CC(C2=CC=CC(=C2)CN)C(=O)O)O

Isomeric SMILES

CC(C)C(NS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F)P(=O)(CC(C2=CC=CC(=C2)CN)C(=O)O)O

InChI

InChI=1S/C21H26F3N2O6PS/c1-13(2)19(26-34(31,32)17-8-4-7-16(10-17)21(22,23)24)33(29,30)12-18(20(27)28)15-6-3-5-14(9-15)11-25/h3-10,13,18-19,26H,11-12,25H2,1-2H3,(H,27,28)(H,29,30)