N~6~-Methyl-6-oxo-L-lysine-2-[(3-mercaptobutanoyl)oxy]-3-methylbutanoic acid
(2S)-2-amino-6-[[(2R,3R)-1-[(1R)-1-carboxy-2-methylpropoxy]-1-oxo-3-sulfanylbutan-2-yl]amino]-6-oxohexanoic acid
Molecular Identity
N~6~-Methyl-6-oxo-L-lysine-2-[(3-mercaptobutanoyl)oxy]-3-methylbutanoic acid
(2S)-2-amino-6-[[(2R,3R)-1-[(1R)-1-carboxy-2-methylpropoxy]-1-oxo-3-sulfanylbutan-2-yl]amino]-6-oxohexanoic acid
PubChem CID: 5326860
2D Structure
Properties
C15H26N2O7S
Molecular Formula
378.40
Molecular Weight
g/mol
378.1461
Exact Mass
Da
-1.8
XLogP
Drug-like (Lipinski: < 5)
157
TPSA
May have limited oral absorption
5
H-Bond Donors
9
H-Bond Acceptors
498
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(C(=O)O)OC(=O)C(C(C)S)NC(=O)CCCC(C(=O)O)NIsomeric SMILES
SMILES: C[C@H]([C@@H](C(=O)O[C@H](C(C)C)C(=O)O)NC(=O)CCC[C@@H](C(=O)O)N)SSynonyms(4)
N~6~-METHYL-6-OXO-L-LYSINE - 2-[(3-MERCAPTOBUTANOYL)OXY]-3-METHYLBUTANOIC ACIDMDZQ27463103N~6~-[(1R,2R)-1-({[(1R)-1-carboxy-2-methylpropyl]oxy}carbonyl)-2-sulfanylpropyl]-6-oxo-L-lysine
Data from PubChem (NCBI)
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Molecular Structure
N~6~-Methyl-6-oxo-L-lysine-2-[(3-mercaptobutanoyl)oxy]-3-methylbutanoic acid
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Drug Network
Trials and conditions connected to N~6~-Methyl-6-oxo-L-lysine-2-[(3-mercaptobutanoyl)oxy]-3-methylbutanoic acid
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