SLR
(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline
Created: | 2008-07-29 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 33 |
Chiral Atom Count | 4 |
Bond Count | 33 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline |
Systematic Name (OpenEye OEToolkits) | (2R,3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methyl-propyl]-4-methyl-5-oxo-pyrrolidine-2-carboxylic acid |
Formula | C10 H17 N O5 |
Molecular Weight | 231.246 |
Type | D-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1NC(C(=O)O)(C(O)C1C)C(O)C(C)C |
SMILES | CACTVS | 3.341 | CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(C(NC1=O)(C(C(C)C)O)C(=O)O)O |
Canonical SMILES | CACTVS | 3.341 | CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@H]1O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C[C@@H]1[C@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C10H17NO5/c1-4(2)6(12)10(9(15)16)7(13)5(3)8(14)11-10/h4-7,12-13H,1-3H3,(H,11,14)(H,15,16)/t5-,6+,7-,10-/m1/s1 |
InChIKey | InChI | 1.03 | USVJHCXEVSVUEZ-JTGULSINSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 25021189 |