DIV
D-ISOVALINE
Created: | 1999-07-08 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 19 |
Chiral Atom Count | 1 |
Bond Count | 18 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | D-ISOVALINE |
Systematic Name (OpenEye OEToolkits) | (2R)-2-amino-2-methyl-butanoic acid |
Formula | C5 H11 N O2 |
Molecular Weight | 117.146 |
Type | D-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)(C)CC |
SMILES | CACTVS | 3.341 | CC[C](C)(N)C(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC(C)(C(=O)O)N |
Canonical SMILES | CACTVS | 3.341 | CC[C@@](C)(N)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CC[C@](C)(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1 |
InChIKey | InChI | 1.03 | GCHPUFAZSONQIV-RXMQYKEDSA-N |
Drug Info: DrugBank
DrugBank ID | DB04171 |
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Name | D-Isovaline |
Groups | experimental |
Synonyms | D-Isovaline |
Related Resource References
Resource Name | Reference |
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PubChem | 2724877, 6971277 |
CCDC/CSD | CISNUP |
COD | 2238885 |