RN2
Summary
| Name: | Calpeptin |
| Formula: | C20 H32 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 364.479 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-1-oxidanylhexan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H32N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,15,17-18,23H,4-5,11-14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | JDNZSBPOIODDLU-ROUUACIJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |
| SMILES | CACTVS | 3.385 | CCCC[CH](CO)NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(CO)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 |
