4QP
Summary
| Name: | (2R)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid |
| Formula: | C14 H22 N O4 P |
| Formal charge: | 0 |
| Formula weight: | 299.303 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid |
| OpenEye OEToolkits | 1.9.2 | (2R)-2-[[[(R)-azanyl(phenyl)methyl]-oxidanyl-phosphoryl]methyl]-4-methyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(c1ccccc1)P(CC(CC(C)C)C(=O)O)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H22NO4P/c1-10(2)8-12(14(16)17)9-20(18,19)13(15)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,15H2,1-2H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1 |
| InChIKey | InChI | 1.03 | RUYPIGFYJMPICK-QWHCGFSZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@@H](C[P](O)(=O)[C@@H](N)c1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](C[P](O)(=O)[CH](N)c1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)C[C@@H](CP(=O)([C@H](c1ccccc1)N)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)CC(CP(=O)(C(c1ccccc1)N)O)C(=O)O |
