OHS

O-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINE

Created: 2005-02-02
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count1
Bond Count19
Aromatic Bond Count0
2D diagram of OHS

Chemical Component Summary

NameO-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINE
Systematic Name (OpenEye OEToolkits)(2R)-2-amino-4-carboxysulfanyloxy-4-oxo-butanoic acid
FormulaC5 H7 N O6 S
Molecular Weight209.177
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)SOC(=O)CC(N)C(=O)O
SMILESCACTVS3.341N[CH](CC(=O)OSC(O)=O)C(O)=O
SMILESOpenEye OEToolkits1.5.0C(C(C(=O)O)N)C(=O)OSC(=O)O
Canonical SMILESCACTVS3.341 N[C@H](CC(=O)OSC(O)=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C([C@H](C(=O)O)N)C(=O)OSC(=O)O
InChIInChI1.03 InChI=1S/C5H7NO6S/c6-2(4(8)9)1-3(7)12-13-5(10)11/h2H,1,6H2,(H,8,9)(H,10,11)/t2-/m1/s1
InChIKeyInChI1.03 XLRNXEYAFDOPMG-UWTATZPHSA-N

Related Resource References

Resource NameReference
PubChem 49867437