A1L43
Summary
| Name: | [(1~{S})-4-oxidanylidene-4-[oxidanyl(5-phenylpentyl)amino]-1-phenyl-butyl]phosphonic acid |
| Formula: | C21 H28 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 405.424 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(1~{S})-4-oxidanylidene-4-[oxidanyl(5-phenylpentyl)amino]-1-phenyl-butyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H28NO5P/c23-21(16-15-20(28(25,26)27)19-13-7-2-8-14-19)22(24)17-9-3-6-12-18-10-4-1-5-11-18/h1-2,4-5,7-8,10-11,13-14,20,24H,3,6,9,12,15-17H2,(H2,25,26,27)/t20-/m0/s1 |
| InChIKey | InChI | 1.06 | AANJIYFRFCIZKZ-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ON(CCCCCc1ccccc1)C(=O)CC[C@@H](c2ccccc2)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | ON(CCCCCc1ccccc1)C(=O)CC[CH](c2ccccc2)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCCCN(C(=O)CC[C@@H](c2ccccc2)P(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCCCN(C(=O)CCC(c2ccccc2)P(=O)(O)O)O |
