| PDB CCD ID: | FDX |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C15 H25 N3 O6 S |
| InChI: | InChI=1S/C15H25N3O6S/c1-18(2)13(20)10-3-7(5-16-10)25-11-4-9(8(6-19)14(21)22)17-12(11)15(23)24/h7-11,14,16,19,21-22H,3-6H2,1-2H3,(H,23,24)/t7-,8-,9-,10-,11+/m1/s1 |
| InChIKey: | XKDKVNYTYXSQPL-ILAIQSSSSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | CN(C)C(=O)C1CC(SC2CC(N=C2C(=O)O)C(CO)C(O)O)CN1 | | CACTVS 3.385 | CN(C)C(=O)[C@H]1C[C@H](CN1)S[C@H]2C[C@@H](N=C2C(O)=O)[C@@H](CO)C(O)O | | OpenEye OEToolkits 2.0.7 | CN(C)C(=O)[C@H]1C[C@H](CN1)S[C@H]2C[C@@H](N=C2C(=O)O)[C@@H](CO)C(O)O | | CACTVS 3.385 | CN(C)C(=O)[CH]1C[CH](CN1)S[CH]2C[CH](N=C2C(O)=O)[CH](CO)C(O)O | | OpenEye OEToolkits 2.0.7 | CN(C)C(=O)C1CC(CN1)SC2CC(N=C2C(=O)O)C(CO)C(O)O |
|
| Name: | (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid |
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