Name: Monodes(N-carboxymethyl)valine Daclatasvir
Rating: 5 (10 reviews)

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HIT ID:HIT100428134
Cas No:1007884-60-7
常用名:Monodes(N-carboxymethyl)valine Daclatasvir
常用名:Monodes(N-carboxymethyl)valine Daclatasvir
IUPAC:methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-(4'-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
IUPAC:methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-(4'-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
InChI key:BHLPGQSNBFUPQA-FMYROPPKSA-N

分子式:C33H39N7O3
分子量:581.721
氢键供体数 (HBD):4
氢键受体数 (HBA):8
LogP:2.6702
SMILES:COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1
SMILES:COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1

Monodes(N-carboxymethyl)valine Daclatasvir, also known as Daclatasvir Impurity A, is the principal degradation product of Daclatasvir.Daclatasvir is a potent inhibitor of the HCV NS5A protein[1].

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