0AG
Summary
| Name: | N-(ethoxycarbonyl)-L-leucine |
| Formula: | C9 H17 N O4 |
| Formal charge: | 0 |
| Formula weight: | 203.236 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(ethoxycarbonyl)-L-leucine |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-(ethoxycarbonylamino)-4-methyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC)NC(C(=O)O)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CCOC(=O)N[C@@H](CC(C)C)C(O)=O |
| SMILES | CACTVS | 3.370 | CCOC(=O)N[CH](CC(C)C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCOC(=O)N[C@@H](CC(C)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCOC(=O)NC(CC(C)C)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H17NO4/c1-4-14-9(13)10-7(8(11)12)5-6(2)3/h6-7H,4-5H2,1-3H3,(H,10,13)(H,11,12)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | WJYLMMNPQWEDQG-ZETCQYMHSA-N |
