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

Systemtic Name: 2-(3-azanyl-2-methyl-phenyl)-3-[[2-methyl-1-(thiophen-2-ylsulfonylamino)propyl]-oxidanyl-phosphoryl]propanoic acid Openeye Name: 2-(3-amino-2-methyl-phenyl)-3-[hydroxy-[2-methyl-1-(2-thienylsulfonylamino)propyl]phosphoryl]propanoic acid CAS Name: 2-(3-amino-2-methylphenyl)-3-[hydroxy-[2-methyl-1-(thiophen-2-ylsulfonylamino)propyl]phosphoryl]propanoic acid IUPAC Name: 2-(3-amino-2-methylphenyl)-3-[hydroxy-[2-methyl-1-(thiophen-2-ylsulfonylamino)propyl]phosphoryl]propanoic acid Traditional Name: 2-(3-amino-2-methyl-phenyl)-3-[hydroxy-[2-methyl-1-(2-thienylsulfonylamino)propyl]phosphoryl]propionic acid Formula: C18H25N2O6PS2 MolecularWeight: 460.504661

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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)C2=CC=CS2)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1N)C(CP(=O)(C(C(C)C)NS(=O)(=O)C2=CC=CS2)O)C(=O)O

InChI

InChI=1S/C18H25N2O6PS2/c1-11(2)17(20-29(25,26)16-8-5-9-28-16)27(23,24)10-14(18(21)22)13-6-4-7-15(19)12(13)3/h4-9,11,14,17,20H,10,19H2,1-3H3,(H,21,22)(H,23,24)