HEP
Summary
| Name: | PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE |
| Formula: | C15 H22 N O6 P |
| Formal charge: | 0 |
| Formula weight: | 343.312 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-({(1R)-1-[(R)-hydroxy(phenoxy)phosphoryl]pentyl}amino)-4-oxobutanoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-[[(1R)-1-(hydroxy-phenoxy-phosphoryl)pentyl]amino]-4-oxo-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(Oc1ccccc1)(O)C(NC(=O)CCC(=O)O)CCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCC[C@H](NC(=O)CCC(O)=O)[P@](O)(=O)Oc1ccccc1 |
| SMILES | CACTVS | 3.341 | CCCC[CH](NC(=O)CCC(O)=O)[P](O)(=O)Oc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC[C@H](NC(=O)CCC(=O)O)[P@@](=O)(O)Oc1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCC(NC(=O)CCC(=O)O)P(=O)(O)Oc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C15H22NO6P/c1-2-3-9-14(16-13(17)10-11-15(18)19)23(20,21)22-12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3,(H,16,17)(H,18,19)(H,20,21)/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | FJQWWGCHPFSERW-CQSZACIVSA-N |
