A1L91
Summary
| Name: | [(1~{S})-4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl-oxidanyl-amino]-4-oxidanylidene-1-phenyl-butyl]phosphonic acid |
| Formula: | C21 H23 N2 O7 P |
| Formal charge: | 0 |
| Formula weight: | 446.39 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(1~{S})-4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl-oxidanyl-amino]-4-oxidanylidene-1-phenyl-butyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H23N2O7P/c24-19(12-11-18(31(28,29)30)15-7-2-1-3-8-15)23(27)14-6-13-22-20(25)16-9-4-5-10-17(16)21(22)26/h1-5,7-10,18,27H,6,11-14H2,(H2,28,29,30)/t18-/m0/s1 |
| InChIKey | InChI | 1.06 | KPFQXDOCICOTFX-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ON(CCCN1C(=O)c2ccccc2C1=O)C(=O)CC[C@@H](c3ccccc3)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | ON(CCCN1C(=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(CCCN2C(=O)c3ccccc3C2=O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(CCC(=O)N(CCCN2C(=O)c3ccccc3C2=O)O)P(=O)(O)O |
