CYW
S-[(2R)-2-hydroxypropanoyl]-L-cysteine
Created: | 2011-02-16 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 2 |
Bond Count | 22 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | S-[(2R)-2-hydroxypropanoyl]-L-cysteine |
Synonyms | lactoylglutathione |
Systematic Name (OpenEye OEToolkits) | (2R)-2-azanyl-3-[(2R)-2-hydroxypropanoyl]sulfanyl-propanoic acid |
Formula | C6 H11 N O4 S |
Molecular Weight | 193.221 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(SCC(C(=O)O)N)C(O)C |
SMILES | CACTVS | 3.370 | C[CH](O)C(=O)SC[CH](N)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C(=O)SCC(C(=O)O)N)O |
Canonical SMILES | CACTVS | 3.370 | C[C@@H](O)C(=O)SC[C@H](N)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | C[C@H](C(=O)SC[C@@H](C(=O)O)N)O |
InChI | InChI | 1.03 | InChI=1S/C6H11NO4S/c1-3(8)6(11)12-2-4(7)5(9)10/h3-4,8H,2,7H2,1H3,(H,9,10)/t3-,4+/m1/s1 |
InChIKey | InChI | 1.03 | SRTPBDVCLYHKFK-DMTCNVIQSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 137349142 |