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Atazanavir-d9

Atazanavir-d9

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CAT	APS1092540516
CAS	1092540-51-6
IUPAC Name	trideuteriomethyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-4-phenyl-3-[[(2S)-4,4,4-trideuterio-2-(trideuteriomethoxycarbonylamino)-3,3-bis(trideuteriomethyl)butanoyl]amino]butyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Molecular Weight	719.95
Molecular Formula	C382H15H37N6O7
Canonical SMILES	[2H]C([2H])([2H])OC(=O)N[C@H](C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC([2H])([2H])[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])Cc2ccc(cc2)c3cccnc3)C(C)(C)C
InChI	InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(21-25-13-10-9-11-14-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-16-18-27(19-17-26)28-15-12-20-39-22-28/h9-20,22,29-32,45H,21,23-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1/i1D3,2D3,3D3,7D3,8D3

Accurate Mass	719.4839
Format	Neat
Subcategory	Chiral molecules, Enzyme inhibitors, Stable isotope labelled compounds
Type	Stable Isotope Labelled

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