N-(5-((1E)-2-Bromoethenyl)-2'-deoxy-P-phenyl-5'-uridylyl)-L-alanine methyl ester
methyl (2S)-2-[[[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Molecular Identity
N-(5-((1E)-2-Bromoethenyl)-2'-deoxy-P-phenyl-5'-uridylyl)-L-alanine methyl ester
methyl (2S)-2-[[[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
PubChem CID: 6440764
2D Structure
Properties
C21H25BrN3O9P
Molecular Formula
574.30
Molecular Weight
g/mol
573.0512
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
153
TPSA
May have limited oral absorption
3
H-Bond Donors
10
H-Bond Acceptors
908
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(=O)OC)NP(=O)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C=CBr)O)OC3=CC=CC=C3Isomeric SMILES
SMILES: C[C@@H](C(=O)OC)NP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)/C=C/Br)O)OC3=CC=CC=C3Synonyms(20)
Thymectacin232925-18-7BVDU prodrug2ZRZ4TSW3FNB-1011DTXSID00177862L-Alanine, N-(5-((1E)-2-bromoethenyl)-2'-deoxy-P-phenyl-5'-uridylyl)-, methyl ester(E)-5-(2-Bromovinyl)-2'-deoxy-5'-uridyl phenyl L-methoxyalaninylphosphoramidateN-(5-((1E)-2-Bromoethenyl)-2'-deoxy-P-phenyl-5'-uridylyl)-L-alanine methyl esterN-[5-[(1E)-2-Bromoethenyl]-2'-deoxy-P-phenyl-5'-uridylyl]-L-alanine methyl esterRefChem:898074DTXCID60100353methyl (2S)-2-(((((2R,3S,5R)-5-(5-((E)-2-bromoethenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl)methoxy)(phenoxy)phosphoryl)amino)propanoateNB1011methyl (2S)-2-[[[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Data from PubChem (NCBI)
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Molecular Structure
N-(5-((1E)-2-Bromoethenyl)-2'-deoxy-P-phenyl-5'-uridylyl)-L-alanine methyl ester
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Drug Network
Trials and conditions connected to N-(5-((1E)-2-Bromoethenyl)-2'-deoxy-P-phenyl-5'-uridylyl)-L-alanine methyl ester
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