| PDB CCD ID: | 6B8 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H17 N O4 S |
| InChI: | InChI=1S/C11H17NO4S/c1-5-8(7(4-13)6(2)14)12-9(11(15)16)10(5)17-3/h4-8,10,14H,1-3H3,(H,15,16)/t5-,6-,7-,8-,10-/m1/s1 |
| InChIKey: | ASUOZXIKIDLJND-VRRGKTLJSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.4 | CC1C(C(=NC1C(C=O)C(C)O)C(=O)O)SC | | CACTVS 3.385 | CS[C@@H]1[C@H](C)[C@@H](N=C1C(O)=O)[C@H](C=O)[C@@H](C)O | | OpenEye OEToolkits 2.0.4 | C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)SC | | CACTVS 3.385 | CS[CH]1[CH](C)[CH](N=C1C(O)=O)[CH](C=O)[CH](C)O | | ACDLabs 12.01 | OC(C=1C(C(C(C(C(O)C)C=O)N=1)C)SC)=O |
|
| Name: | (2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid |
| ZINC: | ZINC000584904667 |
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