A0U
Summary
| Name: | ~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate |
| Formula: | C16 H24 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 320.387 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)18-20(12-17)11-14(21)19(4)10-13-8-6-5-7-9-13/h5-9,12,17H,10-11H2,1-4H3,(H,18,22)/b17-12+ |
| InChIKey | InChI | 1.06 | NNHMMRHKBKUPKO-SFQUDFHCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1ccccc1)C(=O)CN(NC(=O)OC(C)(C)C)C=N |
| SMILES | CACTVS | 3.385 | CN(Cc1ccccc1)C(=O)CN(NC(=O)OC(C)(C)C)C=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C/N(CC(=O)N(C)Cc1ccccc1)NC(=O)OC(C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)NN(CC(=O)N(C)Cc1ccccc1)C=N |
