ATAZANAVIR

CAS No.
198904-31-3 ;162537-11-3 ;229975-97-7
CCD No.
CCD00638204
Formula
C38 H52 N6 O7
MolWeight
704.864

Basic Information

Product Name: ATAZANAVIR
CAS: 198904-31-3 ;162537-11-3 ;229975-97-7
English Synonyms: ATAZANAVIR ; METHYL N-((2S)-1-(((2S,3S)-3-HYDROXY-4-((((2S)-2-(METHOXYCARBONYLAMINO)-3,3-DIMETHYLBUTANOYL)AMINO)-((4-PYRIDIN-2-YLPHENYL)METHYL)AMINO)-1-PHENYLBUTAN-2-YL)AMINO)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE ; (3S,8S,9S,12S)-2,5,6,13-PENTAAZATETRADECANEDIOIC ACID ; ATAZANAVIR, BISULFATE SALT ; 3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-DIMETHYL ESTER ; ATAZANAVIR (SULFATE) ; (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-PENTAAZATETRADECANEDIOIC ACID 1,14-DIMETHYL ESTER ; 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*)]- ; 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
MDL Number.: MFCD08435966
H bond acceptor: 13
H bond donor: 5
Smile: CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC
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
InChiKey: InChIKey=AXRYRYVKAWYZBR-GASGPIRDSA-N

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