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FOQ

Summary
Name:[(1S)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid
Formula:C10 H15 N2 O5 P
Formal charge:0
Formula weight:274.21 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[(1S)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid
OpenEye OEToolkits1.7.6[(1S)-3-[ethanoyl(oxidanyl)amino]-1-pyridin-4-yl-propyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N(O)CCC(c1ccncc1)P(=O)(O)O)C
InChIInChI1.03InChI=1S/C10H15N2O5P/c1-8(13)12(14)7-4-10(18(15,16)17)9-2-5-11-6-3-9/h2-3,5-6,10,14H,4,7H2,1H3,(H2,15,16,17)/t10-/m0/s1
InChIKeyInChI1.03AMWIPWYKSYZXGB-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.370CC(=O)N(O)CC[C@@H](c1ccncc1)[P](O)(O)=O
SMILESCACTVS3.370CC(=O)N(O)CC[CH](c1ccncc1)[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(=O)N(CC[C@@H](c1ccncc1)P(=O)(O)O)O
SMILESOpenEye OEToolkits1.7.6CC(=O)N(CCC(c1ccncc1)P(=O)(O)O)O

217705

PDB entries from 2024-03-27

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