DIL
D-ISOLEUCINE
Created: | 1999-07-08 |
Last modified: | 2023-11-03 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 22 |
Chiral Atom Count | 2 |
Bond Count | 21 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | D-ISOLEUCINE |
Systematic Name (OpenEye OEToolkits) | (2R,3R)-2-amino-3-methyl-pentanoic acid |
Formula | C6 H13 N O2 |
Molecular Weight | 131.173 |
Type | D-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)C(C)CC |
SMILES | CACTVS | 3.341 | CC[CH](C)[CH](N)C(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC(C)C(C(=O)O)N |
Canonical SMILES | CACTVS | 3.341 | CC[C@@H](C)[C@@H](N)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CC[C@@H](C)[C@H](C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1 |
InChIKey | InChI | 1.03 | AGPKZVBTJJNPAG-RFZPGFLSSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 76551, 6950183 |
ChEBI | CHEBI:27730 |
CCDC/CSD | POXGAL, DAILEU01, ZATLOZ |
COD | 2102122 |