 |
| Ligand Name: lactacystin |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1056 |
PubChem:
6610292
|
Synonym(s):
- 133343-34-7
- c15h24n2o7s
- chebi:52722
- (2r,3s,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-2-pyrrolidinecarboxy-n-acetyl-l-cysteine thioester
- n-acetyl-s-({(2r,3s,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)-l-cysteine
- lactacystin (synthetic)
- (+)-lactacystin
- bio1_000949
- schembl18254
- chembl374308
- bcbcmap01_000029
- lactacystin, >=90% (hplc)
- dtxsid50897422
- bio1_000460
- bio1_001438
- bdbm50432548
- mfcd01076525
- zinc13545968
- akos025294316
- smp1_000173
- ncgc00162444-01
- ncgc00162444-02
- hy-16594
- cs-0007504
- v0315
- sr-01000946977
- j-006356
- sr-01000946977-1
- (2r)-2-acetamido-3-({(2r,3s,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbonyl}sulfanyl)propanoic acidlactacystin
- (r)-2-acetamido-3-((2r,3s,4r)-3-hydroxy-2-((s)-1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carbonylthio)propanoic acid
- 3s-hydroxy-2r-(1-hydroxy-2-methylpropyl)-4r-methyl-5-oxo-2-pyrrolidinecarboxylate-n-acetyl-l-cysteine
- l-cysteine, n-acetyl-, 3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxo-2-pyrrolidinecarboxylate (ester), (2r-(2alpha,2(s*),3alpha,4alpha))-
- l-cysteine, n-acetyl-s-[(3s,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-d-prolyl]-
show 32 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL374308 |
| Canonical SMILES: CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C(=O)SC[C@H](NC(C)=O)C(O)=O |
| Standard InChI: InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9+,10+,11+,15-/m1/s1 |
| Molecular Formula: C15H24N2O7S |
Mol. Weight: 376.13043 |
logP: -1.282 |
| HBD: 5 | HBA: 7 |
| #Rotatable Bonds: 7 | TPSA: 153.03 |