Ppi-2458
[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate
Molecular Identity
Ppi-2458
[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID: 6918653
Metapro is an epoxide.
2D Structure
Properties
C22H36N2O6
Molecular Formula
424.50
Molecular Weight
g/mol
424.2573
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
116
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
706
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(C(=O)N)NC(=O)OC1CCC2(CO2)C(C1OC)C3(C(O3)CC=C(C)C)CIsomeric SMILES
SMILES: CC(C)[C@H](C(=O)N)NC(=O)O[C@@H]1CC[C@]2(CO2)[C@H]([C@@H]1OC)[C@@]3([C@H](O3)CC=C(C)C)CSynonyms(20)
PPI-2458431077-35-9PPI 2458NA0Y2SRR29Carbamic acid, ((1R)-1-(aminocarbonyl)-2-methylpropyl)-, (3R,4S,5S,6R)-5-methoxy-4-((2R,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl)-1-oxaspiro(2.5)oct-6-yl ester(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl N-[(1R)-1-carbamoyl-2-methylpropyl]carbamate(3R,4S,5S,6R)-5-methoxy-4-((2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro(2.5)octan-6-yl N-((1R)-1-carbamoyl-2-methylpropyl)carbamateRefChem:868361MetAP-2 Inhibitor PPI-2458PPI2458NSC720735Methionine Aminopeptidase 2 Inhibitor PPI-2458MetaproUNII-NA0Y2SRR29[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate
Data from PubChem (NCBI)
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