A5U
Summary
| Name: | methyl (2S)-2-azanyl-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate |
| Formula: | C11 H22 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 246.303 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | methyl (2~{S})-2-azanyl-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H22N2O4/c1-10(2,3)17-9(15)13-11(4,5)7(12)8(14)16-6/h7H,12H2,1-6H3,(H,13,15)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | UTWVEOUYCGZORL-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H](N)C(C)(C)NC(=O)OC(C)(C)C |
| SMILES | CACTVS | 3.385 | COC(=O)[CH](N)C(C)(C)NC(=O)OC(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)OC(=O)NC(C)(C)[C@@H](C(=O)OC)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)OC(=O)NC(C)(C)C(C(=O)OC)N |
