| PDB CCD ID: | S2J |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H17 N3 O4 |
| InChI: | InChI=1S/C10H17N3O4/c1-3-11-10(16)13-5-4-12-9(15)7(13)6-8(14)17-2/h7H,3-6H2,1-2H3,(H,11,16)(H,12,15)/t7-/m1/s1 |
| InChIKey: | RSMBLBWVWNZVOE-SSDOTTSWSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CCNC(=O)N1CCNC(=O)C1CC(=O)OC | | CACTVS 3.385 | CCNC(=O)N1CCNC(=O)[CH]1CC(=O)OC | CACTVS 3.385
OpenEye OEToolkits 2.0.6 | CCNC(=O)N1CCNC(=O)[C@H]1CC(=O)OC |
|
| Name: | methyl 2-[(2~{R})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate |
| ZINC: | ZINC000000542893 |
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