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| Ligand Name: EPOXOMICIN |
| Ligand Type: peptide-like |
| Ligand ID: COVPDB332 |
PubChem:
11226684
|
Synonym(s):
- epoxomicin
- 134381-21-8
- epoxomycin
- bu-4061t
- unii-y0900i3u8u
- chebi:42265
- y0900i3u8u
- (2s,3s)-2-[[(2s,3s)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-n-[(2s,3r)-3-hydroxy-1-[[(2s)-4-methyl-1-[(2r)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-3-methylpentanamide
- bu 4061t
- c28h50n4o7
- schembl73907
- dtxsid5044073
- bcp13740
- ex-a1663
- n-acetyl-n-methyl-l-isoleucyl-l-isoleucyl-n-{(2s)-4-methyl-1-[(2r)-2-methyloxiran-2-yl]-1-oxopentan-2-yl}-l-threoninamide
- zinc3927842
- 1756ah
- mfcd03791061
- epoxomicin, >=95% (hplc), solid
- cs-3998
- ncgc00485955-01
- hy-13821
- n-acetyl-n-methyl-l-isoleucyl-l-isoleucyl-n-(3-methyl-1-((2-methyloxiranyl)carbonyl)butyl)-l-threoninamide
- q5383826
- y-100034
- (2r,3s)-2-[acetyl(methyl)amino]-n-[(2s,3s)-1-{[(2s,3r)-3-hydroxy-1-({(2s)-4-methyl-1-[(2r)-2-methyloxiran-2-yl]-1-oxopentan-2-yl}amino)-1-oxobutan-2-yl]amino}-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide
- (2s,3s)-n-[(1s,2r)-2-hydroxy-1-{[(2s)-4-methyl-1-[(2r)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]carbamoyl}propyl]-3-methyl-2-[(2s,3s)-3-methyl-2-(n-methylacetamido)pentanamido]pentanamide
show 26 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL207990 |
| Canonical SMILES: CC[C@H](C)[C@H](N(C)C(=O)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |
| Standard InChI: InChI=1S/C28H50N4O7/c1-11-16(5)21(30-27(38)23(17(6)12-2)32(10)19(8)34)25(36)31-22(18(7)33)26(37)29-20(13-15(3)4)24(35)28(9)14-39-28/h15-18,20-23,33H,11-14H2,1-10H3,(H,29,37)(H,30,38)(H,31,36)/t16-,17-,18+,20-,21-,22-,23-,28+/m0/s1 |
| Molecular Formula: C28H50N4O7 |
Mol. Weight: 554.3679 |
logP: 1.1648 |
| HBD: 4 | HBA: 7 |
| #Rotatable Bonds: 16 | TPSA: 157.44 |