Gs-9191
2-methylpropyl (2S)-2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-[[(2S)-1-(2-methylpropoxy)-1-oxo-3-phenylpropan-2-yl]amino]phosphoryl]amino]-3-phenylpropanoate
Molecular Identity
Gs-9191
2-methylpropyl (2S)-2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-[[(2S)-1-(2-methylpropoxy)-1-oxo-3-phenylpropan-2-yl]amino]phosphoryl]amino]-3-phenylpropanoate
PubChem CID: 44181731
2D Structure
Properties
C37H51N8O6P
Molecular Formula
734.80
Molecular Weight
g/mol
734.3669
Exact Mass
Da
5.6
XLogP
Above Lipinski threshold
185
TPSA
May have limited oral absorption
4
H-Bond Donors
13
H-Bond Acceptors
1100
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)COC(=O)C(CC1=CC=CC=C1)NP(=O)(COCCN2C=NC3=C(N=C(N=C32)N)NC4CC4)NC(CC5=CC=CC=C5)C(=O)OCC(C)CIsomeric SMILES
SMILES: CC(C)COC(=O)[C@H](CC1=CC=CC=C1)NP(=O)(COCCN2C=NC3=C(N=C(N=C32)N)NC4CC4)N[C@@H](CC5=CC=CC=C5)C(=O)OCC(C)CSynonyms(19)
GS-9191859209-84-05I2GJW5Z2QRefChem:1444902-methylpropyl (2S)-2-((((2-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)ethoxy)methyl)((((2S)-1-(2-methylpropoxy)-1-oxo-3-phenylpropan-2-yl)amino))phosphoryl)amino)-3-phenylpropanoateUNII-5I2GJW5Z2QGS 9191L-Phenylalanine, N,N'-(((2-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis-, bis(2-methylpropyl) esterorb1702225SCHEMBL2734836CHEMBL1652465AKOS040746869DB15084HY-119151CS-0069060
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Gs-9191
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