Molecules/N-(2'-C-Methyl-6-O-methyl-P-1-naphthalenyl-5'-guanylyl)-L-alanine 2,2-dimethylpropyl ester
N-(2'-C-Methyl-6-O-methyl-P-1-naphthalenyl-5'-guanylyl)-L-alanine 2,2-dimethylpropyl ester
2,2-dimethylpropyl (2S)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
Molecular Identity
N-(2'-C-Methyl-6-O-methyl-P-1-naphthalenyl-5'-guanylyl)-L-alanine 2,2-dimethylpropyl ester
2,2-dimethylpropyl (2S)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
PubChem CID: 46700744
2D Structure
Properties
C30H39N6O9P
Molecular Formula
658.60
Molecular Weight
g/mol
658.2516
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
202
TPSA
May have limited oral absorption
4
H-Bond Donors
14
H-Bond Acceptors
1100
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(=O)OCC(C)(C)C)NP(=O)(OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3OC)N)(C)O)O)OC4=CC=CC5=CC=CC=C54Isomeric SMILES
SMILES: C[C@@H](C(=O)OCC(C)(C)C)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=NC3=C2N=C(N=C3OC)N)(C)O)O)OC4=CC=CC5=CC=CC=C54Synonyms(20)
1234490-83-5INX-08189BMS-986094INX 08189INX-089INX0818962F4AD749YDTXSID00154017N-(2'-C-Methyl-6-O-methyl-P-1-naphthalenyl-5'-guanylyl)-L-alanine 2,2-dimethylpropyl esterRefChem:926599DTXCID40765082,2-dimethylpropyl (2S)-2-(((((2R,3R,4R,5R)-5-(2-amino-6-methoxy-9H-purin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl)methoxy)(naphthalen-1-yloxy)phosphoryl)amino)propanoateINX-189BMS 9860942,2-dimethylpropyl (2S)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
Data from PubChem (NCBI)
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Molecular Structure
N-(2'-C-Methyl-6-O-methyl-P-1-naphthalenyl-5'-guanylyl)-L-alanine 2,2-dimethylpropyl ester
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Drug Network
Trials and conditions connected to N-(2'-C-Methyl-6-O-methyl-P-1-naphthalenyl-5'-guanylyl)-L-alanine 2,2-dimethylpropyl ester
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