A1L9Z
Summary
| Name: | [(1~{S})-4-[2-benzamidoethyl(oxidanyl)amino]-4-oxidanylidene-1-phenyl-butyl]phosphonic acid |
| Formula: | C19 H23 N2 O6 P |
| Formal charge: | 0 |
| Formula weight: | 406.369 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(1~{S})-4-[2-benzamidoethyl(oxidanyl)amino]-4-oxidanylidene-1-phenyl-butyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H23N2O6P/c22-18(12-11-17(28(25,26)27)15-7-3-1-4-8-15)21(24)14-13-20-19(23)16-9-5-2-6-10-16/h1-10,17,24H,11-14H2,(H,20,23)(H2,25,26,27)/t17-/m0/s1 |
| InChIKey | InChI | 1.06 | DBUYREUCBASEMC-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ON(CCNC(=O)c1ccccc1)C(=O)CC[C@@H](c2ccccc2)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | ON(CCNC(=O)c1ccccc1)C(=O)CC[CH](c2ccccc2)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@H](CCC(=O)N(CCNC(=O)c2ccccc2)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(CCC(=O)N(CCNC(=O)c2ccccc2)O)P(=O)(O)O |
