LPH
L-Propargylglycine
Created: | 2014-10-03 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 15 |
Chiral Atom Count | 1 |
Bond Count | 14 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | L-Propargylglycine |
Synonyms | (2S)-2-aminopent-4-ynoic acid |
Systematic Name (OpenEye OEToolkits) | (2S)-2-azanylpent-4-ynoic acid |
Formula | C5 H7 N O2 |
Molecular Weight | 113.115 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)CC#C |
SMILES | CACTVS | 3.385 | N[CH](CC#C)C(O)=O |
SMILES | OpenEye OEToolkits | 1.9.2 | C#CCC(C(=O)O)N |
Canonical SMILES | CACTVS | 3.385 | N[C@@H](CC#C)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | C#CC[C@@H](C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)/t4-/m0/s1 |
InChIKey | InChI | 1.03 | DGYHPLMPMRKMPD-BYPYZUCNSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 7000160, 168091 |
ChEMBL | CHEMBL50483 |
ChEBI | CHEBI:143285, CHEBI:43797 |
CCDC/CSD | YIJHOO |