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Atazanavir

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For Research Use Only | Not For Clinical Use
CATAPS198904313
CAS198904-31-3
Structure
MDL NumberMFCD08435966
SynonymsBMS 232632, 1,14-Dimethyl (3S,8S,9S,12S)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioate, Atazanavir, CGP 73547,2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-, 1,14-dimethyl ester, (3S,8S,9S,12S)-, 2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-, dimethyl ester, (3S,8S,9S,12S)- (9CI), 2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-, dimethyl ester, [3S-(3R*,8R*,9R*,12R*)]-, Reyataz
IUPAC Namemethyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Molecular Weight704.86
Molecular FormulaC38H52N6O7
Canonical SMILESCOC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
InChIInChI=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
Description≥98% (HPLC)
SolubilityDMSO: 10 mg/mL, clear
Accurate Mass704.3897
Assay≥98% (HPLC)
Colorwhite to beige
Formpowder
FormatNeat
Size5MG, 25MG
Storage Conditions−20°C
  • Verification code
CATSizeShippingStorage ConditionsDescription
APS198904313-10MG 10MG Room Temperature -20°C Freezer Subcategory: Chiral molecules, Enzyme inhibitors Inquiry
APS198904313-1MG 1MG Room Temperature -20°C Freezer Subcategory: Enzyme inhibitors, Chiral molecules Inquiry
APS198904313-5MG 5MG Room Temperature -20°C Subcategory: Pharmaceutical, Enzyme inhibitors, Chiral molecules Inquiry
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