 |
| Ligand Name: Calpain inhibitor II |
| Ligand Type: peptide-like |
| Ligand ID: COVPDB1430 |
PubChem:
121855
|
Synonym(s):
- n-acetylleucyl-leucyl-methioninal
- 110115-07-6
- n-allm
- calpain inhibitor 2
- n-acetyl-leu-leu-methioninal
- cpi(2)
- allm
- unii-1d8sbu367z
- chembl318779
- suam-312
- ac-leu-leu-l-methioninal
- 1d8sbu367z
- chebi:7209
- (2s)-2-acetamido-4-methyl-n-[(2s)-4-methyl-1-[[(2s)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
- mfcd00065506
- 136632-32-1
- ac-llm-aldehyde
- ac-leu-leu-met-h
- ac-leu-leu-met-aldehyde
- ac-leu-leu-methional; allm
- calpain inhibitor ii, powder
- schembl2162504
- n-acetylleucyl-leucyl-methininal
- dtxsid90911499
- 145757-50-2
- zinc3874336
- bdbm50421409
- l-leucinamide, n-acetyl-l-leucyl-n-(1-formyl-3-(methylthio)propyl)-, (s)-
- ccg-207842
- hy-118355
- allm - cas 110115-07-6
- cs-0065741
- a14911
- c11292
- q27107457
- n-acetyl-l-leucyl-n-(1-formyl-3-mercaptopropyl)-l-leucinamide (s)
- (2s)-2-acetamido-n-[(1s)-1-[[(1s)-1-formyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]-4-methyl-pentanamide
- (s)-2-acetamido-4-methyl-n-((s)-4-methyl-1-((s)-4-(methylthio)-1-oxobutan-2-ylamino)-1-oxopentan-2-yl)pentanamide
- 2-[(1-hydroxyethylidene)amino]-n-(1-hydroxy-4-methyl-1-{[4-(methylsulfanyl)-1-oxobutan-2-yl]imino}pentan-2-yl)-4-methylpentanimidic acid
show 38 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL318779 |
| Canonical SMILES: CSCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C |
| Standard InChI: InChI=1S/C19H35N3O4S/c1-12(2)9-16(20-14(5)24)19(26)22-17(10-13(3)4)18(25)21-15(11-23)7-8-27-6/h11-13,15-17H,7-10H2,1-6H3,(H,20,24)(H,21,25)(H,22,26)/t15-,16-,17-/m0/s1 |
| Molecular Formula: C19H35N3O4S |
Mol. Weight: 401.23483 |
logP: 1.5049 |
| HBD: 3 | HBA: 5 |
| #Rotatable Bonds: 13 | TPSA: 104.37 |