A1L92
Summary
| Name: | [(1~{S})-4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl-oxidanyl-amino]-4-oxidanylidene-1-phenyl-butyl]phosphonic acid |
| Formula: | C22 H25 N2 O7 P |
| Formal charge: | 0 |
| Formula weight: | 460.417 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(1~{S})-4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl-oxidanyl-amino]-4-oxidanylidene-1-phenyl-butyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H25N2O7P/c25-20(13-12-19(32(29,30)31)16-8-2-1-3-9-16)24(28)15-7-6-14-23-21(26)17-10-4-5-11-18(17)22(23)27/h1-5,8-11,19,28H,6-7,12-15H2,(H2,29,30,31)/t19-/m0/s1 |
| InChIKey | InChI | 1.06 | ZACURSPHGIHASI-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ON(CCCCN1C(=O)c2ccccc2C1=O)C(=O)CC[C@@H](c3ccccc3)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | ON(CCCCN1C(=O)c2ccccc2C1=O)C(=O)CC[CH](c3ccccc3)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@H](CCC(=O)N(CCCCN2C(=O)c3ccccc3C2=O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(CCC(=O)N(CCCCN2C(=O)c3ccccc3C2=O)O)P(=O)(O)O |
