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BB1

Summary
Name:2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE
Synonyms:BB-3497
Formula:C16 H31 N3 O4
Formal charge:0
Formula weight:329.435 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R)-N-[(1S)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-2-{[formyl(hydroxy)amino]methyl}hexanamide
OpenEye OEToolkits1.5.0(2R)-N-[(2S)-1-dimethylamino-3,3-dimethyl-1-oxo-butan-2-yl]-2-[(hydroxy-methanoyl-amino)methyl]hexanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N(C)C)C(NC(=O)C(CCCC)CN(O)C=O)C(C)(C)C
SMILES_CANONICALCACTVS3.341CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
SMILESCACTVS3.341CCCC[CH](CN(O)C=O)C(=O)N[CH](C(=O)N(C)C)C(C)(C)C
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCC[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
SMILESOpenEye OEToolkits1.5.0CCCCC(CN(C=O)O)C(=O)NC(C(=O)N(C)C)C(C)(C)C
InChIInChI1.03InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1
InChIKeyInChI1.03AVDLWYHBABSSHC-CHWSQXEVSA-N

222415

PDB entries from 2024-07-10

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