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PAZ

Summary
Name:N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine
Formula:C9 H18 N O8 P
Formal charge:0
Formula weight:299.215 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine
OpenEye OEToolkits1.5.03-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(OCC(C(O)C(=O)NCCC(=O)O)(C)C)(O)O
SMILES_CANONICALCACTVS3.341CC(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(O)=O
SMILESCACTVS3.341CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O
SMILESOpenEye OEToolkits1.5.0CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)O)O
InChIInChI1.03InChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)/t7-/m0/s1
InChIKeyInChI1.03XHFVGHPGDLDEQO-ZETCQYMHSA-N

217157

PDB entries from 2024-03-13

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