MP8
(4R)-4-methyl-L-proline
Created: | 2009-08-18 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 20 |
Chiral Atom Count | 2 |
Bond Count | 20 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (4R)-4-methyl-L-proline |
Systematic Name (OpenEye OEToolkits) | (2S,4R)-4-methylpyrrolidine-2-carboxylic acid |
Formula | C6 H11 N O2 |
Molecular Weight | 129.157 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C1NCC(C)C1 |
SMILES | CACTVS | 3.370 | C[CH]1CN[CH](C1)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.0 | CC1CC(NC1)C(=O)O |
Canonical SMILES | CACTVS | 3.370 | C[C@H]1CN[C@@H](C1)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | C[C@@H]1C[C@H](NC1)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C6H11NO2/c1-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1 |
InChIKey | InChI | 1.03 | KKJQZEWNZXRJFG-UHNVWZDZSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 21632416, 13419856 |