TXI

(2R)-N-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide

Created:2011-09-06
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count1
Bond Count33
Aromatic Bond Count0
2D diagram of TXI

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Chemical Component Summary

Name(2R)-N-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide
Systematic Name (OpenEye OEToolkits)(2R)-N-(4-chloranyl-3-oxidanylidene-butyl)-3,3-dimethyl-2,4-bis(oxidanyl)butanamide
FormulaC10 H18 Cl N O4
Molecular Weight251.707
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NCCC(=O)CCl)C(O)C(C)(C)CO
SMILESCACTVS3.370CC(C)(CO)[CH](O)C(=O)NCCC(=O)CCl
SMILESOpenEye OEToolkits1.7.2CC(C)(CO)C(C(=O)NCCC(=O)CCl)O
Canonical SMILESCACTVS3.370 CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)CCl
Canonical SMILESOpenEye OEToolkits1.7.2 CC(C)(CO)[C@H](C(=O)NCCC(=O)CCl)O
InChIInChI1.03 InChI=1S/C10H18ClNO4/c1-10(2,6-13)8(15)9(16)12-4-3-7(14)5-11/h8,13,15H,3-6H2,1-2H3,(H,12,16)/t8-/m0/s1
InChIKeyInChI1.03 ZTVXVQKLPAOIJF-QMMMGPOBSA-N

Related Resource References

Resource NameReference
PubChem 137350069