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Summary
| Name: | N-(tert-butoxycarbonyl)-L-alanyl-N-[(1S)-5-amino-1-(diethoxyboranyl)pentyl]-L-valinamide |
| Formula: | C22 H45 B N4 O6 |
| Formal charge: | 0 |
| Formula weight: | 472.427 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(tert-butoxycarbonyl)-L-alanyl-N-[(1S)-5-amino-1-(diethoxyboranyl)pentyl]-L-valinamide |
| OpenEye OEToolkits | 1.6.1 | tert-butyl N-[(2S)-1-[[(2S)-1-[[(1S)-5-amino-1-diethoxyboranyl-pentyl]amino]-3-methyl-1-oxo-butan-2-yl]amino]-1-oxo-propan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(B(OCC)OCC)CCCCN)C(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CCOB(OCC)[C@@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C |
| SMILES | CACTVS | 3.352 | CCOB(OCC)[CH](CCCCN)NC(=O)[CH](NC(=O)[CH](C)NC(=O)OC(C)(C)C)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C22H45BN4O6/c1-9-31-23(32-10-2)17(13-11-12-14-24)26-20(29)18(15(3)4)27-19(28)16(5)25-21(30)33-22(6,7)8/h15-18H,9-14,24H2,1-8H3,(H,25,30)(H,26,29)(H,27,28)/t16-,17-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | GIVAJOGGLRHKIW-BZSNNMDCSA-N |
