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PM3

Summary
Name:2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-PROPIONIC ACID
Formula:C10 H14 N O5 P
Formal charge:0
Formula weight:259.196 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-(phosphonomethyl)-L-phenylalanine
OpenEye OEToolkits1.5.0(2S)-2-amino-3-[4-(phosphonomethyl)phenyl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)Cc1ccc(cc1)CP(=O)(O)O
SMILES_CANONICALCACTVS3.341N[C@@H](Cc1ccc(C[P](O)(O)=O)cc1)C(O)=O
SMILESCACTVS3.341N[CH](Cc1ccc(C[P](O)(O)=O)cc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)CP(=O)(O)O
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1CC(C(=O)O)N)CP(=O)(O)O
InChIInChI1.03InChI=1S/C10H14NO5P/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H2,14,15,16)/t9-/m0/s1
InChIKeyInChI1.03SAQLLHDEEMZENJ-VIFPVBQESA-N

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PDB entries from 2024-07-10

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