LFF
Summary
| Name: | (2S)-3-[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid |
| Synonyms: | ACETYL-LEU-PHE-Y(PO2CH2)-PHE-OH |
| Formula: | C26 H35 N2 O6 P |
| Formal charge: | -1 |
| Formula weight: | 502.54 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-3-[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-[[[(1R)-1-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-2-phenyl-ethyl]-oxidanyl-phosphoryl]methyl]-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(Cc1ccccc1)CP(=O)(O)C(NC(=O)C(NC(=O)C)CC(C)C)Cc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C26H35N2O6P/c1-18(2)14-23(27-19(3)29)25(30)28-24(16-21-12-8-5-9-13-21)35(33,34)17-22(26(31)32)15-20-10-6-4-7-11-20/h4-13,18,22-24H,14-17H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t22-,23+,24-/m1/s1 |
| InChIKey | InChI | 1.03 | GRMCSCYPDCPNRA-TZRRMPRUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[P](O)(=O)C[C@@H](Cc2ccccc2)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)[P](O)(=O)C[CH](Cc2ccccc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)P(=O)(C[C@@H](Cc2ccccc2)C(=O)O)O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(C(=O)NC(Cc1ccccc1)P(=O)(CC(Cc2ccccc2)C(=O)O)O)NC(=O)C |
