Atazanavir-d15

Category	Human immunodeficiency Virus (HIV)
CAS	1092540-56-1

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Product Information

Synonyms	1092540-56-1;Deuterated Atazanivir-D3-1;Deuterated Atazanivir;CTP-518;Atazanavir-d15;CTP 518(Atazanavir, deuterated);F9UZ89CQYY;CTP518;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-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;2,5,6,10,13-Pentaazatetradecanedioic acid, 3-(1,1-dimethylethyl)-12-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-, 1,14-di(methyl-d3) ester, (3S,8S,9S,12S)-;2,5,6,10,13-Pentaazatetradecanedioic acid, 3-(1,1-dimethylethyl)-12-(1,1-di(methyl-d3)ethyl-2,2,2-d3)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-, 1,14-di(methyl-d3) ester, (3S,8S,9S,12S)-;UNII-F9UZ89CQYY;SCHEMBL1079020;DTXSID30648853;HY-17367S;AKOS032947347;DA-62524;CS-0020039;(~2~H_3_)Methyl [(5S,10S,11S,14S)-11-benzyl-5-tert-butyl-10-hydroxy-15,15-bis[(~2~H_3_)methyl]-3,6,13-trioxo-8-{[4-(pyridin-2-yl)phenyl]methyl}(1,1,1,16,16,16-~2~H_6_)-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamate;1,14-Di(methyl-d3) (3S,8S,9S,12S)-3-(1,1-dimethylethyl)-12-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioate;
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-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Molecular Weight	719.95
Molecular Formula	C38H37D15N6O7
Canonical SMILES	O=C(OC([2H])([2H])[2H])N[C@@H](C(C)(C)C)C(NN(CC1=CC=C(C2=NC=CC=C2)C=C1)C[C@H](O)[C@H](CC3=CC=CC=C3)NC([C@H](C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])NC(OC([2H])([2H])[2H])=O)=O)=O
InChI	InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1/i1D3,2D3,3D3,7D3,8D3
InChIKey	AXRYRYVKAWYZBR-ILCNTUBFSA-N
Purity	95%
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.