| PDB CCD ID: | 68F |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C14 H28 N2 O4 |
| InChI: | InChI=1S/C14H28N2O4/c1-7-11(17)13(19)9(15-7)5-3-4-6-10-14(20)12(18)8(2)16-10/h7-20H,3-6H2,1-2H3/t7-,8-,9-,10-,11+,12+,13-,14-/m0/s1 |
| InChIKey: | FSZVPMVCORPBFY-OPEDVLRTSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.4 | CC1C(C(C(N1)CCCCC2C(C(C(N2)C)O)O)O)O | | OpenEye OEToolkits 2.0.4 | C[C@H]1[C@H]([C@H]([C@@H](N1)CCCC[C@H]2[C@@H]([C@@H]([C@@H](N2)C)O)O)O)O | | ACDLabs 12.01 | OC1C(NC(C1O)C)CCCCC2NC(C)C(O)C2O | | CACTVS 3.385 | C[CH]1N[CH](CCCC[CH]2N[CH](C)[CH](O)[CH]2O)[CH](O)[CH]1O | | CACTVS 3.385 | C[C@@H]1N[C@@H](CCCC[C@@H]2N[C@@H](C)[C@@H](O)[C@H]2O)[C@H](O)[C@@H]1O |
|
| Name: | (2S,3S,4R,5S,2'S,3'S,4'R,5'S)-2,2'-(butane-1,4-diyl)bis(5-methylpyrrolidine-3,4-diol) |
| ZINC: | ZINC000584904700 |
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