| PDB CCD ID: | 2EW |
| Number of entries in BioLiP: | 9 |
| Chemical formula: | C18 H24 N4 O5 S |
| InChI: | InChI=1S/C18H24N4O5S/c19-6-7-20-17(23)15-12-22(28(25,26)14-4-2-1-3-5-14)13-16(15)18(24)21-8-10-27-11-9-21/h1-6,15-16,19H,7-13H2,(H,20,23)/b19-6+/t15-,16-/m1/s1 |
| InChIKey: | WRVODTAPCBNKHV-DRTXVBNMSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(N1CCOCC1)C3C(C(=O)NCC=[N@H])CN(S(=O)(=O)c2ccccc2)C3 | | OpenEye OEToolkits 1.7.6 | c1ccc(cc1)S(=O)(=O)N2CC(C(C2)C(=O)N3CCOCC3)C(=O)NCC=N | | OpenEye OEToolkits 1.7.6 | [H]/N=C/CNC(=O)[C@@H]1CN(C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3 | | CACTVS 3.385 | N=CCNC(=O)[CH]1CN(C[CH]1C(=O)N2CCOCC2)[S](=O)(=O)c3ccccc3 | | CACTVS 3.385 | N=CCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N2CCOCC2)[S](=O)(=O)c3ccccc3 |
|
| Name: | (3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide |
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