 |
| Ligand Name: ethyl (2E,4S)-4-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(tert-butoxy)propanamido]-3-phenylpropanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate |
| Ligand Type: peptide-like |
| Ligand ID: COVPDB840 |
PubChem:
52914324
|
Synonym(s):
- 1575662-24-6
- sg85
- chebi:147346
- sg 85
- sg-85
- ethyl (5s,8s,11s,e)-8-benzyl-5-(tert-butoxymethyl)-3,6,9-trioxo-11-(((s)-2-oxopyrrolidin-3-yl)methyl)-1-phenyl-2-oxa-4,7,10-triazatetradec-12-en-14-oate
- n-[(benzyloxy)carbonyl]-o-tert-butyl-l-seryl-n-{(2s,3e)-5-ethoxy-5-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl}-l-phenylalaninamide
show 6 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](COC(C)(C)C)NC(=O)OCc3ccccc3 |
| Standard InChI: InChI=1S/C35H46N4O8/c1-5-45-30(40)17-16-27(21-26-18-19-36-31(26)41)37-32(42)28(20-24-12-8-6-9-13-24)38-33(43)29(23-47-35(2,3)4)39-34(44)46-22-25-14-10-7-11-15-25/h6-17,26-29H,5,18-23H2,1-4H3,(H,36,41)(H,37,42)(H,38,43)(H,39,44)/b17-16+/t26-,27+,28-,29-/m0/s1 |
| Molecular Formula: C35H46N4O8 |
Mol. Weight: 650.33154 |
logP: 2.9543 |
| HBD: 4 | HBA: 8 |
| #Rotatable Bonds: 16 | TPSA: 161.16 |