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| Ligand Name: E64 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB739 |
PubChem:
439487
|
Synonym(s):
- e-64
- 66701-25-5
- trans-epoxysuccinyl-l-leucylamido(4-guanidino)butane
- mls000069547
- l-trans-3-carboxyoxiran-2-carbonyl-l-leucylagmatine
- (2r,3r)-3-[[(2s)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
- smr000058838
- (2r,3r)-3-[[(1s)-1-(4-guanidinobutylcarbamoyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylic acid
- e-64 protease inhibitor
- mfcd00080261
- lopac-e-3132
- e-64, protease inhibitor
- mls002153455
- schembl871993
- cid_439487
- chembl1458713
- n-(trans-epoxysuccinyl)-l-leucine 4-guanidinobutylamide
- schembl13523481
- bdbm12042
- bdbm35493
- dtxsid90985271
- hms2235m22
- 2-oxiranecarboxylic acid, 3-[[[(1s)-1-[[[4-[(aminoiminomethyl)amino]butyl]amino]carbonyl]-3-methylbutyl]amino]carbonyl]-, (2s,3s)-
- zinc4095645
- s7379
- ccg-268123
- ncgc00015406-01
- ncgc00015406-02
- ncgc00386280-01
- trans-3-carboxyoxiran-2-carbonyl-leucylagmatine
- 701e255
- sr-01000000150
- sr-01000000150-3
- e-64, n-[n-(l-3-trans-carboxirane-2-carbonyl)-l-leucyl]-agmatine
- (2r,3r)-3-[[(2s)-1-[4-[bis(azanyl)methylideneamino]butylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
- (2r,3r)-3-[[[(2s)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid
- (2r,3r)-3-{[(1s)-1-[(4-carbamimidamidobutyl)carbamoyl]-3-methylbutyl]carbamoyl}oxirane-2-carboxylic acid
show 36 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL1458713 |
| Canonical SMILES: CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(O)=O)C(=O)NCCCCNC(N)=N |
| Standard InChI: InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10+,11+/m0/s1 |
| Molecular Formula: C15H27N5O5 |
Mol. Weight: 357.20123 |
logP: -1.25123 |
| HBD: 6 | HBA: 5 |
| #Rotatable Bonds: 11 | TPSA: 169.93 |