| PDB CCD ID: | 9VA |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C8 H13 N3 O3 |
| InChI: | InChI=1S/C8H13N3O3/c9-7(13)2-1-5-3-10-6(4-12)8(14)11-5/h3,5-6,12H,1-2,4H2,(H2,9,13)(H,11,14)/t5-,6-/m0/s1 |
| InChIKey: | OCHCPOLYCJESTJ-WDSKDSINSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | C1=N[C@H](C(=O)N[C@H]1CCC(=O)N)CO | | ACDLabs 12.01 | C1=NC(CO)C(NC1CCC(=O)N)=O | | CACTVS 3.385 | NC(=O)CC[CH]1NC(=O)[CH](CO)N=C1 | | CACTVS 3.385 | NC(=O)CC[C@@H]1NC(=O)[C@H](CO)N=C1 | | OpenEye OEToolkits 2.0.6 | C1=NC(C(=O)NC1CCC(=O)N)CO |
|
| Name: | 3-[(2S,5S)-5-(hydroxymethyl)-6-oxo-1,2,5,6-tetrahydropyrazin-2-yl]propanamide |
umich.edu