FHF

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Summary

Name:N-((2R,4S)-2-butyl-4-(3-(2-fluorophenyl)ureido)-5-methyl-3-oxohexyl)-N-hydroxyformamide
Formula:C19 H28 F N3 O4
Formal charge:0
Molecular weight:381.442 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(2-fluorophenyl)-3-[(3S,5R)-5-{[formyl(hydroxy)amino]methyl}-2-methyl-4-oxononan-3-yl]urea
OpenEye OEToolkits1.7.2N-[(2R,4S)-2-butyl-4-[(2-fluorophenyl)carbamoylamino]-5-methyl-3-oxidanylidene-hexyl]-N-oxidanyl-methanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1ccccc1F)NC(C(=O)C(CCCC)CN(O)C=O)C(C)C
InChIInChI1.03InChI=1S/C19H28FN3O4/c1-4-5-8-14(11-23(27)12-24)18(25)17(13(2)3)22-19(26)21-16-10-7-6-9-15(16)20/h6-7,9-10,12-14,17,27H,4-5,8,11H2,1-3H3,(H2,21,22,26)/t14-,17+/m1/s1
InChIKeyInChI1.03OWFALUNDSZEADU-PBHICJAKSA-N
SMILES_CANONICALCACTVS3.370CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccccc1F)C(C)C
SMILESCACTVS3.370CCCC[CH](CN(O)C=O)C(=O)[CH](NC(=O)Nc1ccccc1F)C(C)C
SMILES_CANONICALOpenEye OEToolkits1.7.2CCCC[C@H](CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccccc1F
SMILESOpenEye OEToolkits1.7.2CCCCC(CN(C=O)O)C(=O)C(C(C)C)NC(=O)Nc1ccccc1F
169117
PDB entries from 2020-09-23