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

Systemtic Name: 2-[3-(aminomethyl)phenyl]-3-[[2-methyl-1-[[(E)-2-phenylethenyl]sulfonylamino]propyl]-oxidanyl-phosphoryl]propanoic acid Openeye Name: 2-[3-(aminomethyl)phenyl]-3-[hydroxy-[2-methyl-1-[[(E)-styryl]sulfonylamino]propyl]phosphoryl]propanoic acid CAS Name: 2-[3-(aminomethyl)phenyl]-3-[hydroxy-[2-methyl-1-[[(E)-2-phenylethenyl]sulfonylamino]propyl]phosphoryl]propanoic acid IUPAC Name: 2-[3-(aminomethyl)phenyl]-3-[hydroxy-[2-methyl-1-[[(E)-2-phenylethenyl]sulfonylamino]propyl]phosphoryl]propanoic acid Traditional Name: 2-[3-(aminomethyl)phenyl]-3-[hydroxy-[2-methyl-1-[[(E)-styryl]sulfonylamino]propyl]phosphoryl]propionic acid Formula: C22H29N2O6PS MolecularWeight: 480.514221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NS(=O)(=O)C=CC1=CC=CC=C1)P(=O)(CC(C2=CC=CC(=C2)CN)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H29N2O6PS/c1-16(2)21(24-32(29,30)12-11-17-7-4-3-5-8-17)31(27,28)15-20(22(25)26)19-10-6-9-18(13-19)14-23/h3-13,16,20-21,24H,14-15,23H2,1-2H3,(H,25,26)(H,27,28)/b12-11+