KD7/PRD_002338
N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide
KD7/PRD_002338 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 6N4T.
Find entries where PRD_002338 is present
Chemical Component Summary | |
|---|---|
| Name | N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide |
| Identifiers | (2~{S})-~{N}-[(1~{S},2~{S})-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxidanyl-pentan-2-yl]-3-methyl-2-[[(2~{S})-2-(3-phenylpropanoylamino)-3-(1,3-thiazol-4-yl)propanoyl]amino]butanamide |
| Formula | C33 H42 N8 O4 S2 |
| Molecular Weight | 678.868 |
| Type | NON-POLYMER |
| Isomeric SMILES | [H]/N=C(/N)\NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cscn3)NC(=O)CCc4ccccc4 |
| InChI | InChI=1S/C33H42N8O4S2/c1-20(2)28(41-30(44)25(17-22-18-46-19-37-22)38-27(42)15-14-21-9-4-3-5-10-21)31(45)39-24(12-8-16-36-33(34)35)29(43)32-40-23-11-6-7-13-26(23)47-32/h3-7,9-11,13,18-20,24-25,28-29,43H,8,12,14-17H2,1-2H3,(H,38,42)(H,39,45)(H,41,44)(H4,34,35,36)/t24-,25-,28-,29-/m0/s1 |
| InChIKey | AHZGKBJWEMYHLE-NSIYGSDQSA-N |
| Composition | Polymer Sequences: HCI-KCJ-VAL-KCM |
| BIRD class | INHIBITOR |
| Represented As | SINGLE MOLECULE |
| Compound Details | n/a |
| Description | n/a |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 89 |
| Chiral Atom Count | 4 |
| Bond Count | 92 |
| Aromatic Bond Count | 21 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 145946043 |
