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

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

Systemtic Name:2-(3-azanyl-2-methyl-phenyl)-3-[[1-(2-hydroxyethylsulfonylamino)-2-methyl-propyl]-oxidanyl-phosphoryl]propanoic acid
Openeye Name:2-(3-amino-2-methyl-phenyl)-3-[hydroxy-[1-(2-hydroxyethylsulfonylamino)-2-methyl-propyl]phosphoryl]propanoic acid
CAS Name:2-(3-amino-2-methylphenyl)-3-[hydroxy-[1-(2-hydroxyethylsulfonylamino)-2-methylpropyl]phosphoryl]propanoic acid
IUPAC Name:2-(3-amino-2-methylphenyl)-3-[hydroxy-[1-(2-hydroxyethylsulfonylamino)-2-methylpropyl]phosphoryl]propanoic acid
Traditional Name:2-(3-amino-2-methyl-phenyl)-3-[hydroxy-[1-(2-hydroxyethylsulfonylamino)-2-methyl-propyl]phosphoryl]propionic acid
Formula: C16H27N2O7PS
MolecularWeight: 422.433541
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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)CCO)O)C(=O)O


Isomeric SMILES

CC1=C(C=CC=C1N)C(CP(=O)(C(C(C)C)NS(=O)(=O)CCO)O)C(=O)O


InChI

InChI=1S/C16H27N2O7PS/c1-10(2)15(18-27(24,25)8-7-19)26(22,23)9-13(16(20)21)12-5-4-6-14(17)11(12)3/h4-6,10,13,15,18-19H,7-9,17H2,1-3H3,(H,20,21)(H,22,23)


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