Cmx-2043
(4S)-5-[[(1S)-1-carboxyethyl]amino]-4-[5-[(3R)-dithiolan-3-yl]pentanoylamino]-5-oxopentanoic acid
Molecular Identity
Cmx-2043
(4S)-5-[[(1S)-1-carboxyethyl]amino]-4-[5-[(3R)-dithiolan-3-yl]pentanoylamino]-5-oxopentanoic acid
PubChem CID: 49802864
2D Structure
Properties
C16H26N2O6S2
Molecular Formula
406.50
Molecular Weight
g/mol
406.1232
Exact Mass
Da
0.7
XLogP
Drug-like (Lipinski: < 5)
183
TPSA
May have limited oral absorption
4
H-Bond Donors
8
H-Bond Acceptors
517
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCCCC1CCSS1Isomeric SMILES
SMILES: C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCCC[C@@H]1CCSS1Synonyms(20)
CMX-2043910627-26-8(R)-Lip-L-glu-L-ala-OHLip-eaR-lip-ea-oh83V80O4XY1R-Lipoic acid-L-glutamate-L-alanineL-Alanine, N-(5-(3R)-1,2-dithiolan-3-yl-1-oxopentyl)-L-alpha-glutamyl-RefChem:127173ALPHA-N-((R)-1,2-DITHIOLANE-3-PENTANOYL)-L-GLUTAMYL-L-ALANINE(4S)-4-(((1S)-1-carboxyethyl)carbamoyl)-4-(5-((3R)-1,2-dithiolan-3-yl)pentanamido)butanoic acidUNII-83V80O4XY1alpha-N-((R )-1,2-Dithiolane-3-pentanoyl)-L-glutamyl-L-alanineN-[5-(3R)-1,2-Dithiolan-3-yl-1-oxopentyl]-L-alpha-glutamyl-L-alanine(4S)-5-[[(1S)-1-carboxyethyl]amino]-4-[5-[(3R)-dithiolan-3-yl]pentanoylamino]-5-oxopentanoic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Cmx-2043
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