MV2
Summary
| Name: | (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide |
| Synonyms: | L-Pantothenol |
| Formula: | C9 H19 N O4 |
| Formal charge: | 0 |
| Formula weight: | 205.251 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide |
| OpenEye OEToolkits | 1.7.0 | (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCCO)C(O)C(C)(C)CO |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(CO)[C@H](O)C(=O)NCCCO |
| SMILES | CACTVS | 3.370 | CC(C)(CO)[CH](O)C(=O)NCCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)(CO)[C@@H](C(=O)NCCCO)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)(CO)C(C(=O)NCCCO)O |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | SNPLKNRPJHDVJA-SSDOTTSWSA-N |
