A1L45
Summary
| Name: | [(1~{S})-4-[3-(4-methoxyphenyl)propyl-oxidanyl-amino]-4-oxidanylidene-1-phenyl-butyl]phosphonic acid |
| Formula: | C20 H26 N O6 P |
| Formal charge: | 0 |
| Formula weight: | 407.397 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(1~{S})-4-[3-(4-methoxyphenyl)propyl-oxidanyl-amino]-4-oxidanylidene-1-phenyl-butyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H26NO6P/c1-27-18-11-9-16(10-12-18)6-5-15-21(23)20(22)14-13-19(28(24,25)26)17-7-3-2-4-8-17/h2-4,7-12,19,23H,5-6,13-15H2,1H3,(H2,24,25,26)/t19-/m0/s1 |
| InChIKey | InChI | 1.06 | YVQMUBYZMYMZEU-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CCCN(O)C(=O)CC[C@@H](c2ccccc2)[P](O)(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(CCCN(O)C(=O)CC[CH](c2ccccc2)[P](O)(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)CCCN(C(=O)CC[C@@H](c2ccccc2)P(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)CCCN(C(=O)CCC(c2ccccc2)P(=O)(O)O)O |
