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CHK

Summary
Name:6-[(CYCLOHEXYLACETYL)(2-HYDROXYETHYL)AMINO]-6-DEOXY-D-XYLO-HEXITOL
Synonyms:C-HEGA-8
CYCLOHEXYLETHANOYL-N-HYDROXYETHYLGLUCOAMIDE
Formula:C16 H31 N O7
Formal charge:0
Formula weight:349.42 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-[(cyclohexylacetyl)(2-hydroxyethyl)amino]-6-deoxy-D-allitol
OpenEye OEToolkits1.5.02-cyclohexyl-N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CC1CCCCC1
SMILES_CANONICALCACTVS3.341OCCN(C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)C(=O)CC1CCCCC1
SMILESCACTVS3.341OCCN(C[CH](O)[CH](O)[CH](O)[CH](O)CO)C(=O)CC1CCCCC1
SMILES_CANONICALOpenEye OEToolkits1.5.0C1CCC(CC1)CC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O
SMILESOpenEye OEToolkits1.5.0C1CCC(CC1)CC(=O)N(CCO)CC(C(C(C(CO)O)O)O)O
InChIInChI1.03InChI=1S/C16H31NO7/c18-7-6-17(14(22)8-11-4-2-1-3-5-11)9-12(20)15(23)16(24)13(21)10-19/h11-13,15-16,18-21,23-24H,1-10H2/t12-,13+,15-,16+/m1/s1
InChIKeyInChI1.03DIWWAIOQKLBBRJ-CLWVCHIJSA-N

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PDB entries from 2024-03-27

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