V69
Summary
| Name: | (4S,7S,17R)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione |
| Formula: | C23 H43 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 441.605 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S,7S,17R)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione |
| OpenEye OEToolkits | 2.0.6 | (4~{S},7~{S},17~{R})-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCCCC1CCCCCNC(CCC(NC(C(NC(O1)=O)CC(C)C)=O)CO)=O |
| InChI | InChI | 1.03 | InChI=1S/C23H43N3O5/c1-4-5-7-10-19-11-8-6-9-14-24-21(28)13-12-18(16-27)25-22(29)20(15-17(2)3)26-23(30)31-19/h17-20,27H,4-16H2,1-3H3,(H,24,28)(H,25,29)(H,26,30)/t18-,19+,20-/m0/s1 |
| InChIKey | InChI | 1.03 | RKQBXGIWUUASPA-ZCNNSNEGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC[C@@H]1CCCCCNC(=O)CC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)O1 |
| SMILES | CACTVS | 3.385 | CCCCC[CH]1CCCCCNC(=O)CC[CH](CO)NC(=O)[CH](CC(C)C)NC(=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCC[C@@H]1CCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)O1)CC(C)C)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCC1CCCCCNC(=O)CCC(NC(=O)C(NC(=O)O1)CC(C)C)CO |
