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Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir-[d5]

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General Information
Catalog: BLP-007823
CAS: 1217665-60-5
Molecular Formula: C32H37D5N4O5
Molecular Weight: 567.73

Chemical Structure

Description	Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir-[d5] is a labelled impurity of Atazanavir.
Synonyms	2-[(2S,3S)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenyl-d5-butyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazinecarboxylic Acid 1,1-Dimethylethyl Ester
IUPAC Name	tert-butyl N-[[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,3,4,5,6-pentadeuteriophenyl)butyl]-[(4-pyridin-2-ylphenyl)methyl]amino]carbamate
Related CAS	198904-86-8 (unlabelled)
Canonical SMILES	CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)OC(C)(C)C)O
InChI	InChI=1S/C32H42N4O5/c1-31(2,3)40-29(38)34-27(20-23-12-8-7-9-13-23)28(37)22-36(35-30(39)41-32(4,5)6)21-24-15-17-25(18-16-24)26-14-10-11-19-33-26/h7-19,27-28,37H,20-22H2,1-6H3,(H,34,38)(H,35,39)/t27-,28-/m0/s1/i7D,8D,9D,12D,13D
InChI Key	KYSDBVSJLBOZDZ-ARPYXGNSSA-N
Solubility	Soluble in Ethanol, Methanol
Appearance	White Solid