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PNF

Summary
Name:6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
Formula:C16 H23 N2 O8 P
Formal charge:0
Formula weight:402.336 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-({4-[(R)-hydroxy(4-nitrophenoxy)phosphoryl]butanoyl}amino)hexanoic acid
OpenEye OEToolkits1.5.06-[4-[hydroxy-(4-nitrophenoxy)phosphoryl]butanoylamino]hexanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)NCCCCCC(=O)O
SMILES_CANONICALCACTVS3.341OC(=O)CCCCCNC(=O)CCC[P@](O)(=O)Oc1ccc(cc1)[N+]([O-])=O
SMILESCACTVS3.341OC(=O)CCCCCNC(=O)CCC[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCC(=O)NCCCCCC(=O)O)O
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1[N+](=O)[O-])OP(=O)(CCCC(=O)NCCCCCC(=O)O)O
InChIInChI1.03InChI=1S/C16H23N2O8P/c19-15(17-11-3-1-2-6-16(20)21)5-4-12-27(24,25)26-14-9-7-13(8-10-14)18(22)23/h7-10H,1-6,11-12H2,(H,17,19)(H,20,21)(H,24,25)
InChIKeyInChI1.03WYHHVZLGTMCKOR-UHFFFAOYSA-N

246704

PDB entries from 2025-12-24

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