C0G
Summary
| Name: | (2R)-N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide |
| Formula: | C17 H24 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 336.383 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-~{N}-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C(O)C(=O)NCCC(=O)NCc2cc1OCOc1cc2)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C17H24N2O5/c1-17(2,3)15(21)16(22)18-7-6-14(20)19-9-11-4-5-12-13(8-11)24-10-23-12/h4-5,8,15,21H,6-7,9-10H2,1-3H3,(H,18,22)(H,19,20)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | CABNSQJZPOAZEV-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCc1ccc2OCOc2c1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)[CH](O)C(=O)NCCC(=O)NCc1ccc2OCOc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)[C@H](C(=O)NCCC(=O)NCc1ccc2c(c1)OCO2)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)C(C(=O)NCCC(=O)NCc1ccc2c(c1)OCO2)O |
