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

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

Systemtic Name:2-[3-(aminomethyl)phenyl]-3-[[1-(2-hydroxyethylsulfonylamino)-2-methyl-propyl]-oxidanyl-phosphoryl]propanoic acid
Openeye Name:2-[3-(aminomethyl)phenyl]-3-[hydroxy-[1-(2-hydroxyethylsulfonylamino)-2-methyl-propyl]phosphoryl]propanoic acid
CAS Name:2-[3-(aminomethyl)phenyl]-3-[hydroxy-[1-(2-hydroxyethylsulfonylamino)-2-methylpropyl]phosphoryl]propanoic acid
IUPAC Name:2-[3-(aminomethyl)phenyl]-3-[hydroxy-[1-(2-hydroxyethylsulfonylamino)-2-methylpropyl]phosphoryl]propanoic acid
Traditional Name:2-[3-(aminomethyl)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:

CC(C)C(NS(=O)(=O)CCO)P(=O)(CC(C1=CC=CC(=C1)CN)C(=O)O)O


Isomeric SMILES

CC(C)C(NS(=O)(=O)CCO)P(=O)(CC(C1=CC=CC(=C1)CN)C(=O)O)O


InChI

InChI=1S/C16H27N2O7PS/c1-11(2)15(18-27(24,25)7-6-19)26(22,23)10-14(16(20)21)13-5-3-4-12(8-13)9-17/h3-5,8,11,14-15,18-19H,6-7,9-10,17H2,1-2H3,(H,20,21)(H,22,23)


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