A1CT5
Summary
| Name: | N-[(1S)-1-(1,3-benzothiazol-5-yl)-2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide |
| Formula: | C15 H19 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 321.395 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(1S)-1-(1,3-benzothiazol-5-yl)-2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[(1~{S})-1-(1,3-benzothiazol-5-yl)-2-(oxidanylamino)-2-oxidanylidene-ethyl]-3,3-dimethyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)(C)CC(=O)NC(c1cc2ncsc2cc1)C(=O)NO |
| InChI | InChI | 1.06 | InChI=1S/C15H19N3O3S/c1-15(2,3)7-12(19)17-13(14(20)18-21)9-4-5-11-10(6-9)16-8-22-11/h4-6,8,13,21H,7H2,1-3H3,(H,17,19)(H,18,20)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | BJEPPCMNJNEPNQ-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)CC(=O)N[C@H](C(=O)NO)c1ccc2scnc2c1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)CC(=O)N[CH](C(=O)NO)c1ccc2scnc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C)CC(=O)N[C@@H](c1ccc2c(c1)ncs2)C(=O)NO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C)CC(=O)NC(c1ccc2c(c1)ncs2)C(=O)NO |
