| PDB CCD ID: | 7BB |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C15 H24 N2 O6 S |
| InChI: | InChI=1S/C15H24N2O6S/c16-12(9-24)17(8-2-1-3-13(18)19)15(22)23-11-6-4-10(5-7-11)14(20)21/h9-11,24H,1-8,16H2,(H,18,19)(H,20,21)/b12-9+/t10-,11- |
| InChIKey: | RVJFTXMCSWVIBW-FXJSDQFGSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | C1CC(CCC1C(=O)O)OC(=O)N(CCCCC(=O)O)C(=CS)N | | ACDLabs 12.01 | O=C(OC1CCC(C(=O)O)CC1)N(C(=C\S)\N)CCCCC(=O)O | | CACTVS 3.370 | NC(=CS)N(CCCCC(O)=O)C(=O)O[CH]1CC[CH](CC1)C(O)=O | | OpenEye OEToolkits 1.7.6 | C1CC(CCC1C(=O)O)OC(=O)N(CCCCC(=O)O)/C(=C/S)/N | | CACTVS 3.370 | N\C(=C/S)N(CCCCC(O)=O)C(=O)O[C@H]1CC[C@@H](CC1)C(O)=O |
|
| Name: | trans-4-({[(E)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid |
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