| PDB CCD ID: | QQV |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H25 N3 O5 S |
| InChI: | InChI=1S/C19H25N3O5S/c20-6-7-21-18(23)16-12-15(28(25,26)14-4-2-1-3-5-14)13-17(16)19(24)22-8-10-27-11-9-22/h1-6,15-17,20H,7-13H2,(H,21,23)/b20-6+/t15-,16-,17-/m1/s1 |
| InChIKey: | XITNEGQOZBCTJS-AFLVBBNASA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | [H]/N=C/CNC(=O)[C@@H]1C[C@H](C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3 | | ACDLabs 12.01 | O=C(N1CCOCC1)C3CC(S(=O)(=O)c2ccccc2)CC3C(=O)NCC=[N@H] | | OpenEye OEToolkits 1.9.2 | c1ccc(cc1)S(=O)(=O)C2CC(C(C2)C(=O)N3CCOCC3)C(=O)NCC=N | | CACTVS 3.385 | N=CCNC(=O)[C@@H]1C[C@H](C[C@H]1C(=O)N2CCOCC2)[S](=O)(=O)c3ccccc3 | | CACTVS 3.385 | N=CCNC(=O)[CH]1C[CH](C[CH]1C(=O)N2CCOCC2)[S](=O)(=O)c3ccccc3 |
|
| Name: | (1R,2R,4R)-N-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide |
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