DZE
Summary
| Name: | methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate |
| Formula: | C11 H19 N O5 |
| Formal charge: | 0 |
| Formula weight: | 245.272 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate |
| OpenEye OEToolkits | 1.5.0 | methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-pentanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC(C)(C)C)NC(C(=O)C)CC(=O)OC |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)=O |
| SMILES | CACTVS | 3.341 | COC(=O)C[CH](NC(=O)OC(C)(C)C)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)C(CC(=O)OC)NC(=O)OC(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C11H19NO5/c1-7(13)8(6-9(14)16-5)12-10(15)17-11(2,3)4/h8H,6H2,1-5H3,(H,12,15)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | QKEQESWFLCEUCV-QMMMGPOBSA-N |
