| PDB CCD ID: | 28T |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C13 H20 N2 O4 |
| InChI: | InChI=1S/C13H20N2O4/c16-11(9-3-1-7-14-9)5-6-12(17)15-8-2-4-10(15)13(18)19/h9-10,14H,1-8H2,(H,18,19)/t9-,10-/m0/s1 |
| InChIKey: | FCVBOVVXXBUFFZ-UWVGGRQHSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)[CH]1CCCN1C(=O)CCC(=O)[CH]2CCCN2 | | ACDLabs 12.01 | O=C(N1C(C(=O)O)CCC1)CCC(=O)C2NCCC2 | | CACTVS 3.385 | OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@@H]2CCCN2 | | OpenEye OEToolkits 1.7.6 | C1CC(NC1)C(=O)CCC(=O)N2CCCC2C(=O)O | | OpenEye OEToolkits 1.7.6 | C1C[C@H](NC1)C(=O)CCC(=O)N2CCC[C@H]2C(=O)O |
|
| Name: | 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline |
| ZINC: | ZINC000098208111 |
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