PRD_000694
1-(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
| Created: | 2012-02-01 |
| Last modified: | 2024-08-07 |
PRD_000694 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 2XDW.
Find Related PDB Entries |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 50 |
| Chiral Atom Count | 2 |
| Bond Count | 52 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | 1-(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid |
| Systematic Name (OpenEye OEToolkits) | (2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylpiperidine-2-carboxylic acid |
| Formula | C19 H24 N2 O5 |
| Molecular Weight | 360.404 |
| Type | PEPTIDE-LIKE |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C3N(C(=O)C2N(C(=O)OCc1ccccc1)CCC2)CCCC3 |
| SMILES | CACTVS | 3.370 | OC(=O)[CH]1CCCCN1C(=O)[CH]2CCCN2C(=O)OCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)COC(=O)N2CCCC2C(=O)N3CCCCC3C(=O)O |
| Canonical SMILES | CACTVS | 3.370 | OC(=O)[C@@H]1CCCCN1C(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3 |
| Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)N3CCCC[C@H]3C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C19H24N2O5/c22-17(20-11-5-4-9-16(20)18(23)24)15-10-6-12-21(15)19(25)26-13-14-7-2-1-3-8-14/h1-3,7-8,15-16H,4-6,9-13H2,(H,23,24) |
| InChIKey | InChI | 1.03 | ZSUDGOXHRALIOT-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
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| PubChem | 46173027 |
