5BZ
Summary
| Name: | [(1~{R})-1-[[(2~{S})-2-(hex-5-ynoylamino)-3-phenyl-propanoyl]amino]-3-methyl-butyl]boronic acid |
| Formula: | C20 H29 B N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 372.266 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | [(1~{R})-1-[[(2~{S})-2-(hex-5-ynoylamino)-3-phenyl-propanoyl]amino]-3-methyl-butyl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H29BN2O4/c1-4-5-7-12-19(24)22-17(14-16-10-8-6-9-11-16)20(25)23-18(21(26)27)13-15(2)3/h1,6,8-11,15,17-18,26-27H,5,7,12-14H2,2-3H3,(H,22,24)(H,23,25)/t17-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | MJBNWYBMEIYIHG-ROUUACIJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCC#C)B(O)O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)CCCC#C)B(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCC#C)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | B(C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CCCC#C)(O)O |
