4FO
(2R)-2,4-diaminobutanoic acid
Created: | 2015-08-03 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 18 |
Chiral Atom Count | 1 |
Bond Count | 17 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2R)-2,4-diaminobutanoic acid |
Systematic Name (OpenEye OEToolkits) | (2R)-2,4-bis(azanyl)butanoic acid |
Formula | C4 H10 N2 O2 |
Molecular Weight | 118.134 |
Type | D-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NC(CCN)C(=O)O |
SMILES | CACTVS | 3.385 | NCC[CH](N)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.6 | C(CN)C(C(=O)O)N |
Canonical SMILES | CACTVS | 3.385 | NCC[C@@H](N)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | C(CN)[C@H](C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m1/s1 |
InChIKey | InChI | 1.03 | OGNSCSPNOLGXSM-GSVOUGTGSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 134490 |
ChEMBL | CHEMBL321357 |
ChEBI | CHEBI:48950 |