SH2
Summary
| Name: | (R)-N-(3-((2-(benzo[d][1,3]dioxol-5-yl)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide |
| Formula: | C18 H26 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 366.409 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-N-(3-{[2-(1,3-benzodioxol-5-yl)ethyl]amino}-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide |
| OpenEye OEToolkits | 1.7.6 | (2R)-N-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxidanylidene-propyl]-3,3-dimethyl-2,4-bis(oxidanyl)butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCC(=O)NCCc1ccc2OCOc2c1)C(O)C(C)(C)CO |
| InChI | InChI | 1.03 | InChI=1S/C18H26N2O6/c1-18(2,10-21)16(23)17(24)20-8-6-15(22)19-7-5-12-3-4-13-14(9-12)26-11-25-13/h3-4,9,16,21,23H,5-8,10-11H2,1-2H3,(H,19,22)(H,20,24)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | WTOXXQQUHIAOIP-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCc1ccc2OCOc2c1 |
| SMILES | CACTVS | 3.385 | CC(C)(CO)[CH](O)C(=O)NCCC(=O)NCCc1ccc2OCOc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(CO)C(C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O |
