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Daclatasvir-[13C2,d6]

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General Information
Catalog: BLP-002409
Molecular Formula: C38[13C]2H44D6N8O6
Molecular Weight: 746.9

Chemical Structure

Description	Daclatasvir-[13C2,d6], is the labelled analogue of Daclatasvir. Daclatasvir, inhibits the HCV protein NS5A, and can be used in combination with other medications to treat hepatitis C (HCV).
Synonyms	Daclatasvir 13C2D6
IUPAC Name	trideuterio(1-13C)methyl N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(trideuterio(1-13C)methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
Related CAS	1009119-64-5 (unlabelled)
Canonical SMILES	CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC
InChI	InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1/i5+1D3,6+1D3
InChI Key	FKRSSPOQAMALKA-NYMKCBTJSA-N
Purity	> 98%