6CL
6-CARBOXYLYSINE
Created: | 2005-08-08 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 1 |
Atom Count | 28 |
Chiral Atom Count | 2 |
Bond Count | 27 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 6-CARBOXYLYSINE |
Systematic Name (OpenEye OEToolkits) | [(2R,6S)-6-amino-1,7-dihydroxy-1,7-dioxo-heptan-2-yl]azanium |
Formula | C7 H15 N2 O4 |
Molecular Weight | 191.205 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(CCCC(N)C(=O)O)[NH3+] |
SMILES | CACTVS | 3.341 | N[CH](CCC[CH]([NH3+])C(O)=O)C(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(C(=O)O)[NH3+])CC(C(=O)O)N |
Canonical SMILES | CACTVS | 3.341 | N[C@@H](CCC[C@@H]([NH3+])C(O)=O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C(C[C@H](C(=O)O)[NH3+])C[C@@H](C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/p+1/t4-,5+ |
InChIKey | InChI | 1.03 | GMKMEZVLHJARHF-SYDPRGILSA-O |
Related Resource References
Resource Name | Reference |
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PubChem | 11840912 |