| PDB CCD ID: | SUB |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C23 H28 N2 O5 S2 |
| InChI: | InChI=1S/C23H28N2O5S2/c1-3-30-23(27)20(15-18-7-5-4-6-8-18)24-22(26)21-16-31-14-13-25(21)32(28,29)19-11-9-17(2)10-12-19/h4-12,20-21H,3,13-16H2,1-2H3,(H,24,26)/t20-,21-/m0/s1 |
| InChIKey: | NDDSSAGSYFVBTG-SFTDATJTSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | CCOC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CSCCN2[S](=O)(=O)c3ccc(C)cc3 | | CACTVS 3.341 | CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]2CSCCN2[S](=O)(=O)c3ccc(C)cc3 | | OpenEye OEToolkits 1.5.0 | CCOC(=O)C(Cc1ccccc1)NC(=O)[C@@H]2CSCC[N@]2S(=O)(=O)c3ccc(cc3)C | | ACDLabs 10.04 | O=S(=O)(N2C(C(=O)NC(C(=O)OCC)Cc1ccccc1)CSCC2)c3ccc(cc3)C | | OpenEye OEToolkits 1.5.0 | CCOC(=O)C(Cc1ccccc1)NC(=O)C2CSCCN2S(=O)(=O)c3ccc(cc3)C |
|
| Name: | 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PROPIONIC ACID ETHYL ESTER;
(3R)-4-(P-TOLUENESULFONYL)-1,4-THIAZANE-3-CARBOXYLIC ACID-L-PHENYLALANINE ETHYL ESTER |
| DrugBank: | DB01712 |
| ZINC: | ZINC000012501024 |
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