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| Ligand Name: (1S,7S)-7-amino-7-benzyl-N-[(1S)-4-carbamimidamido-1-{(1S)-1,2-dioxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide |
| Ligand Type: peptide-like |
| Ligand ID: COVPDB2 |
PubChem:
444153
|
Synonym(s):
- chembl284549
- mol126
- bdbm50076232
- (1s,7s)-7-amino-7-benzyl-8-oxo-hexahydro-pyrazolo[1,2-a]pyridazine-1-carboxylic acid ((s)-4-guanidino-1-phenethylaminooxalyl-butyl)-amide
- (1s,7s)-7-amino-7-benzyl-n-((s)-6-guanidino-1,2-dioxo-1-(phenethylamino)hexan-3-yl)-8-oxo-hexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide
- 00l
show 5 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL284549 |
| Canonical SMILES: NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)C(=O)N12)C(=O)C(=O)NCCc1ccccc1 |
| Standard InChI: InChI=1S/C30H40N8O4/c31-29(32)35-16-7-12-23(25(39)27(41)34-17-13-21-8-3-1-4-9-21)36-26(40)24-14-18-37-19-15-30(33,28(42)38(24)37)20-22-10-5-2-6-11-22/h1-6,8-11,23-24H,7,12-20,33H2,(H,34,41)(H,36,40)(H4,31,32,35)/t23-,24-,30+/m0/s1 |
| Molecular Formula: C30H40N8O4 |
Mol. Weight: 576.31726 |
logP: -0.17573 |
| HBD: 6 | HBA: 7 |
| #Rotatable Bonds: 13 | TPSA: 186.74 |