7J4
Summary
| Name: | N-tert-butoxy-L-asparagine |
| Formula: | C8 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 204.224 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-tert-butoxy-L-asparagine |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C(CC(NOC(C)(C)C)=O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C8H16N2O4/c1-8(2,3)14-10-6(11)4-5(9)7(12)13/h5H,4,9H2,1-3H3,(H,10,11)(H,12,13)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | MNWLLGIIPOONPX-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)ONC(=O)C[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)(C)ONC(=O)C[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)ONC(=O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)ONC(=O)CC(C(=O)O)N |
