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Summary

Name:(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
Formula:C12 H18 N O4 P
Formal charge:0
Molecular weight:271.249 Da
Component type:peptide-like

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
OpenEye OEToolkits1.7.0(2S)-3-[[(1R)-1-azanyl-2-phenyl-ethyl]-hydroxy-phosphoryl]-2-methyl-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(C)CP(=O)(O)C(N)Cc1ccccc1
SMILES_CANONICALCACTVS3.370C[C@H](C[P](O)(=O)[C@@H](N)Cc1ccccc1)C(O)=O
SMILESCACTVS3.370C[CH](C[P](O)(=O)[CH](N)Cc1ccccc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0C[C@H](C[P@](=O)([C@H](Cc1ccccc1)N)O)C(=O)O
SMILESOpenEye OEToolkits1.7.0CC(CP(=O)(C(Cc1ccccc1)N)O)C(=O)O
InChIInChI1.03InChI=1S/C12H18NO4P/c1-9(12(14)15)8-18(16,17)11(13)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3,(H,14,15)(H,16,17)/t9-,11-/m1/s1
InChIKeyInChI1.03SMNGNHRXUGKQDP-MWLCHTKSSA-N
168889
PDB entries from 2020-09-16