| PDB CCD ID: | MV2 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C9 H19 N O4 |
| InChI: | InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m1/s1 |
| InChIKey: | SNPLKNRPJHDVJA-SSDOTTSWSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | CC(C)(CO)C(C(=O)NCCCO)O | | OpenEye OEToolkits 1.7.0 | CC(C)(CO)[C@@H](C(=O)NCCCO)O | | CACTVS 3.370 | CC(C)(CO)[CH](O)C(=O)NCCCO | | CACTVS 3.370 | CC(C)(CO)[C@H](O)C(=O)NCCCO | | ACDLabs 12.01 | O=C(NCCCO)C(O)C(C)(C)CO |
|
| Name: | (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide;
L-Pantothenol |
| ChEMBL: | CHEMBL1741351 |
| ZINC: | ZINC000001567243 |
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