JWL
Summary
| Name: | 6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide |
| Synonyms: | Beta-lactone antibacterial agent (open form) |
| Formula: | C19 H27 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 389.449 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-azido-~{N}-[(2~{R})-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H27N5O4/c1-14(26)17(13-25)23-19(28)16(12-15-8-4-2-5-9-15)22-18(27)10-6-3-7-11-21-24-20/h2,4-5,8-9,13-14,16-17,26H,3,6-7,10-12H2,1H3,(H,22,27)(H,23,28)/t14-,16-,17-/m1/s1 |
| InChIKey | InChI | 1.06 | JYMVTDPABCQINZ-DJIMGWMZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N-])C=O |
| SMILES | CACTVS | 3.385 | C[CH](O)[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N-])C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]([C@@H](C=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N-])O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C=O)NC(=O)C(Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N-])O |
