EF1
Summary
| Name: | (2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid |
| Synonyms: | EF6265 |
| Formula: | C21 H35 N2 O5 P |
| Formal charge: | 0 |
| Formula weight: | 426.487 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2S)-7-azanyl-2-[[[(1R)-2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]methyl]heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(CCCCCN)CP(=O)(O)C(NC(=O)CCc1ccccc1)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C21H35N2O5P/c1-16(2)20(23-19(24)13-12-17-9-5-3-6-10-17)29(27,28)15-18(21(25)26)11-7-4-8-14-22/h3,5-6,9-10,16,18,20H,4,7-8,11-15,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-,20-/m1/s1 |
| InChIKey | InChI | 1.03 | DEWOTLFUKYSXIE-UYAOXDASSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)[C@H](NC(=O)CCc1ccccc1)[P](O)(=O)C[C@@H](CCCCCN)C(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)[CH](NC(=O)CCc1ccccc1)[P](O)(=O)C[CH](CCCCCN)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)[C@H](NC(=O)CCc1ccccc1)P(=O)(C[C@@H](CCCCCN)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)C(NC(=O)CCc1ccccc1)P(=O)(CC(CCCCCN)C(=O)O)O |
