Molecules/N,N'-(((2-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(L-alanine) 1,1'-ethyl ester
N,N'-(((2-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(L-alanine) 1,1'-ethyl ester
ethyl (2S)-2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate
Molecular Identity
N,N'-(((2-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(L-alanine) 1,1'-ethyl ester
ethyl (2S)-2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate
PubChem CID: 16047979
2D Structure
Properties
C21H35N8O6P
Molecular Formula
526.50
Molecular Weight
g/mol
526.2417
Exact Mass
Da
0.5
XLogP
Drug-like (Lipinski: < 5)
185
TPSA
May have limited oral absorption
4
H-Bond Donors
13
H-Bond Acceptors
760
Complexity
SMILES
Canonical SMILES
SMILES: CCOC(=O)C(C)NP(=O)(COCCN1C=NC2=C(N=C(N=C21)N)NC3CC3)NC(C)C(=O)OCCIsomeric SMILES
SMILES: CCOC(=O)[C@H](C)NP(=O)(COCCN1C=NC2=C(N=C(N=C21)N)NC3CC3)N[C@@H](C)C(=O)OCCSynonyms(20)
Rabacfosadine859209-74-8GS-9219rabacfosadinaM39BO43J9WDTXSID10235245rabacfosadinumTanoveaRefChem:58266DTXCID10157736ethyl (2S)-2-((((2-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)ethoxy)methyl)((((2S)-1-ethoxy-1-oxopropan-2-yl)amino))phosphoryl)amino)propanoateN,N'-(((2-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(L-alanine) 1,1'-ethyl esterGS 9219VDC-1101ethyl (2S)-2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate
Data from PubChem (NCBI)
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Molecular Structure
N,N'-(((2-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(L-alanine) 1,1'-ethyl ester
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Drug Network
Trials and conditions connected to N,N'-(((2-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(L-alanine) 1,1'-ethyl ester
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