OHS
O-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINE
Created: | 2005-02-02 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 20 |
Chiral Atom Count | 1 |
Bond Count | 19 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | O-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINE |
Systematic Name (OpenEye OEToolkits) | (2R)-2-amino-4-carboxysulfanyloxy-4-oxo-butanoic acid |
Formula | C5 H7 N O6 S |
Molecular Weight | 209.177 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)SOC(=O)CC(N)C(=O)O |
SMILES | CACTVS | 3.341 | N[CH](CC(=O)OSC(O)=O)C(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)O)N)C(=O)OSC(=O)O |
Canonical SMILES | CACTVS | 3.341 | N[C@H](CC(=O)OSC(O)=O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C([C@H](C(=O)O)N)C(=O)OSC(=O)O |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | XLRNXEYAFDOPMG-UWTATZPHSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 49867437 |