KNJ/PRD_000584
KNI-1689
KNJ/PRD_000584 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 3A2O.
Find entries where PRD_000584 is present
Chemical Component Summary | |
|---|---|
| Name | KNI-1689 |
| Synonyms | KNI-1689 |
| Identifiers | (4R)-3-[(2S,3S)-3-[2-(4-azanyl-2,6-dimethyl-phenoxy)ethanoylamino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-N-(2-methylprop-2-enyl)-1,3-thiazolidine-4-carboxamide |
| Formula | C30 H40 N4 O5 S |
| Molecular Weight | 568.727 |
| Type | PEPTIDE-LIKE |
| Isomeric SMILES | Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)NCC(=C)C)(C)C)O)C)N |
| InChI | InChI=1S/C30H40N4O5S/c1-18(2)15-32-28(37)27-30(5,6)40-17-34(27)29(38)25(36)23(14-21-10-8-7-9-11-21)33-24(35)16-39-26-19(3)12-22(31)13-20(26)4/h7-13,23,25,27,36H,1,14-17,31H2,2-6H3,(H,32,37)(H,33,35)/t23-,25-,27+/m0/s1 |
| InChIKey | YCDHYYBDJVMMOY-SCTDOJESSA-N |
| Composition | Polymer Sequences: K0L-005-00B-IRS |
| BIRD class | INHIBITOR |
| Represented As | SINGLE MOLECULE |
| Compound Details | n/a |
| Description | n/a |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 80 |
| Chiral Atom Count | 3 |
| Bond Count | 82 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 9872768 |
| ChEMBL | CHEMBL573975 |
