 Home > Encyclopedia > 2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-thiazolyl)phenyl)methyl)-, 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-thiazolyl)phenyl)methyl)-, 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-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)- structure

CAS No:
198904-01-7
Formula:
C36H50N6O7S
Chemical Name:
2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-
Synonyms:
232632, BMS;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 dimethyl ester;atazanavir;atazanavir sulfate;BMS 232632;BMS 232632 05;BMS-232632;BMS-232632-05;BMS232632;BMS23263205;CGP 73547;CGP 75136;CGP 75176;CGP 75355;CGP-73547;CGP-75136;CGP-75176;CGP-75355;CGP73547;CGP75136;CGP75176;CGP75355;Reyataz;CGP 75136;CHEMBL114039;CGP-75136;198904-01-7;1-(4-(Thiazol-2-yl)-phenyl)-4(S)-hydroxy-5(S)-2,5-bis(N-(N-methoxycarbonyl-(L)-tert-leucyl)amino)-6-phenyl-2-azahexane;1-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-5(S)-2,5-bis[N-(N-methoxycarbonyl-(L)-tert-leucyl)amino]-6-phenyl-2-azahexane;2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-thiazolyl)phenyl)methyl)-, 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-thiazolyl)phenyl]methyl]-, dimethyl ester, (3S,8S,9S,12S)-;CGP75136;DTXSID10173658;BDBM50066467;methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[[4-(1,3-thiazol-2-yl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;{(S)-1-[N''-[(2S,3S)-2-Hydroxy-3-((S)-2-methoxycarbonylamino-3,3-dimethyl-butyrylamino)-4-phenyl-butyl]-N''-(4-thiazol-2-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester

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Description

An azapeptide and HIV-PROTEASE INHIBITOR that is used in the treatment of HIV INFECTIONS and AIDS in combination with other ANTI-HIV AGENTS.

2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)- Basic Attributes

Molecular Weight：

710.9 g/mol

Exact Mass：

710.34616913 g/mol

DSSTox ID：

DTXSID10173658

Characteristics

PSA：

200 Å²

Drug Information

MeSH：

Inhibitors of HIV PROTEASE, an enzyme required for production of proteins needed for viral assembly. (See all compounds classified as HIV Protease Inhibitors.)

MeSH Entry Terms：

232632, BMS

Computed Properties

Molecular Weight:710.9
XLogP3:5.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:18
Exact Mass:710.34616913
Monoisotopic Mass:710.34616913
Topological Polar Surface Area:200
Heavy Atom Count:50
Complexity:1100
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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