LMI
Summary
| Name: | tert-butyl N-[3-[[4-(oxidanylcarbamoyl)phenyl]methylamino]-3-oxidanylidene-propyl]carbamate |
| Formula: | C16 H23 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 337.371 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{tert}-butyl ~{N}-[3-[[4-(oxidanylcarbamoyl)phenyl]methylamino]-3-oxidanylidene-propyl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H23N3O5/c1-16(2,3)24-15(22)17-9-8-13(20)18-10-11-4-6-12(7-5-11)14(21)19-23/h4-7,23H,8-10H2,1-3H3,(H,17,22)(H,18,20)(H,19,21) |
| InChIKey | InChI | 1.06 | XZBWQLIYDNHHJF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(cc1)C(=O)NO |
| SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(cc1)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(cc1)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(cc1)C(=O)NO |
