AGF
Summary
| Name: | O-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-L-PHENYLLACTATE |
| Formula: | C21 H25 N2 O8 P |
| Formal charge: | 0 |
| Formula weight: | 464.406 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-{[(R)-[({N-[(benzyloxy)carbonyl]-L-alanyl}amino)methyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-[hydroxy-[[[(2S)-2-phenylmethoxycarbonylaminopropanoyl]amino]methyl]phosphoryl]oxy-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(OP(=O)(O)CNC(=O)C(NC(=O)OCc1ccccc1)C)Cc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[P@](O)(=O)O[C@@H](Cc2ccccc2)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](NC(=O)OCc1ccccc1)C(=O)NC[P](O)(=O)O[CH](Cc2ccccc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C(=O)NC[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)NCP(=O)(O)OC(Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C21H25N2O8P/c1-15(23-21(27)30-13-17-10-6-3-7-11-17)19(24)22-14-32(28,29)31-18(20(25)26)12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,22,24)(H,23,27)(H,25,26)(H,28,29)/t15-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | ICACWKLCNCPHAM-YJBOKZPZSA-N |
