TXI
Summary
| Name: | (2R)-N-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide |
| Formula: | C10 H18 Cl N O4 |
| Formal charge: | 0 |
| Formula weight: | 251.707 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-N-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide |
| OpenEye OEToolkits | 1.7.2 | (2R)-N-(4-chloranyl-3-oxidanylidene-butyl)-3,3-dimethyl-2,4-bis(oxidanyl)butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCC(=O)CCl)C(O)C(C)(C)CO |
| InChI | InChI | 1.03 | InChI=1S/C10H18ClNO4/c1-10(2,6-13)8(15)9(16)12-4-3-7(14)5-11/h8,13,15H,3-6H2,1-2H3,(H,12,16)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | ZTVXVQKLPAOIJF-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)CCl |
| SMILES | CACTVS | 3.370 | CC(C)(CO)[CH](O)C(=O)NCCC(=O)CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(C)(CO)[C@H](C(=O)NCCC(=O)CCl)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(C)(CO)C(C(=O)NCCC(=O)CCl)O |
