0PJ/PRD_000654
CBZ-GLY-P-LEU-LEU (ZGPLL)
| Created: | 2008-09-14 |
| Last modified: | 2021-03-01 |
0PJ/PRD_000654 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 4H57.
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 66 |
| Chiral Atom Count | 3 |
| Bond Count | 66 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
|---|---|
| Name | CBZ-GLY-P-LEU-LEU (ZGPLL) |
| Synonyms | ZGPLL |
| Systematic Name (OpenEye OEToolkits) | (2S)-2-[[(2S)-2-[(hydroxy-(phenylmethoxycarbonylaminomethyl)phosphoryl)amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid |
| Formula | C21 H34 N3 O7 P |
| Molecular Weight | 471.484 |
| Type | PEPTIDE-LIKE |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)CC(C)C |
| SMILES | CACTVS | 3.341 | CC(C)C[CH](NC(=O)[CH](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O |
| Canonical SMILES | CACTVS | 3.341 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)N[P@](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C21H34N3O7P/c1-14(2)10-17(19(25)23-18(20(26)27)11-15(3)4)24-32(29,30)13-22-21(28)31-12-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30)/t17-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | ASUDVBNLLSQCDJ-ROUUACIJSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 449567 |
| ChEMBL | CHEMBL1229588 |
