A1L41
Summary
| Name: | [(1~{S})-4-oxidanylidene-4-[oxidanyl(4-phenylbutyl)amino]-1-phenyl-butyl]phosphonic acid |
| Formula: | C20 H26 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 391.398 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(1~{S})-4-oxidanylidene-4-[oxidanyl(4-phenylbutyl)amino]-1-phenyl-butyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H26NO5P/c22-20(21(23)16-8-7-11-17-9-3-1-4-10-17)15-14-19(27(24,25)26)18-12-5-2-6-13-18/h1-6,9-10,12-13,19,23H,7-8,11,14-16H2,(H2,24,25,26)/t19-/m0/s1 |
| InChIKey | InChI | 1.06 | SWCCBIBBKRWVBN-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ON(CCCCc1ccccc1)C(=O)CC[C@@H](c2ccccc2)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | ON(CCCCc1ccccc1)C(=O)CC[CH](c2ccccc2)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCCN(C(=O)CC[C@@H](c2ccccc2)P(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCCN(C(=O)CCC(c2ccccc2)P(=O)(O)O)O |
