TXZ

O-phosphono-N-(6-sulfanylhexanoyl)-L-threonine

Created:2010-03-12
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count2
Bond Count39
Aromatic Bond Count0
2D diagram of TXZ

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Chemical Component Summary

NameO-phosphono-N-(6-sulfanylhexanoyl)-L-threonine
Systematic Name (OpenEye OEToolkits)(2S,3R)-3-phosphonooxy-2-(6-sulfanylhexanoylamino)butanoic acid
FormulaC10 H20 N O7 P S
Molecular Weight329.307
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC(C(=O)O)C(OP(=O)(O)O)C)CCCCCS
SMILESCACTVS3.370C[CH](O[P](O)(O)=O)[CH](NC(=O)CCCCCS)C(O)=O
SMILESOpenEye OEToolkits1.7.0CC(C(C(=O)O)NC(=O)CCCCCS)OP(=O)(O)O
Canonical SMILESCACTVS3.370 C[C@@H](O[P](O)(O)=O)[C@H](NC(=O)CCCCCS)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.0 C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCS)OP(=O)(O)O
InChIInChI1.03 InChI=1S/C10H20NO7PS/c1-7(18-19(15,16)17)9(10(13)14)11-8(12)5-3-2-4-6-20/h7,9,20H,2-6H2,1H3,(H,11,12)(H,13,14)(H2,15,16,17)/t7-,9+/m1/s1
InChIKeyInChI1.03 PRNNQVAYHYUTOD-APPZFPTMSA-N

Related Resource References

Resource NameReference
PubChem 46870018