SBA
Summary
| Name: | CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE |
| Formula: | C22 H36 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 408.532 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N~2~-[(benzyloxy)carbonyl]-N-{(1S)-1-[(1S)-1-hydroxy-2-methoxyethyl]-3-methylbutyl}-L-leucinamide |
| OpenEye OEToolkits | 1.5.0 | phenylmethyl N-[(2S)-1-[[(2S,3S)-2-hydroxy-1-methoxy-5-methyl-hexan-3-yl]amino]-4-methyl-1-oxo-pentan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(CC(C)C)C(O)COC)C(NC(=O)OCc1ccccc1)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COC[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |
| SMILES | CACTVS | 3.341 | COC[CH](O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@@H]([C@@H](COC)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C(COC)O)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C22H36N2O5/c1-15(2)11-18(20(25)14-28-5)23-21(26)19(12-16(3)4)24-22(27)29-13-17-9-7-6-8-10-17/h6-10,15-16,18-20,25H,11-14H2,1-5H3,(H,23,26)(H,24,27)/t18-,19-,20+/m0/s1 |
| InChIKey | InChI | 1.03 | LHCNZPLAATYYPI-SLFFLAALSA-N |
