ATAZANAVIR S,R,S,S-DIASTEREOMER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H52N6O7
Molecular Weight	704.8555
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ATAZANAVIR S,R,S,S-DIASTEREOMER

Structure Search

SMILES

[H][C@@](O)(CN(CC1=CC=C(C=C1)C2=NC=CC=C2)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)[C@]([H])(CC3=CC=CC=C3)NC(=O)[C@@]([H])(NC(=O)OC)C(C)(C)C

InChI

InChIKey=AXRYRYVKAWYZBR-SYEZAVJTSA-N

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

HIDE SMILES / InChI

Molecular Formula	C38H52N6O7
Molecular Weight	704.8555
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:53:48 GMT 2023` Edited by `admin` on `Sat Dec 16 18:53:48 GMT 2023`
Record UNII	5EQX656EUV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATAZANAVIR S,R,S,S-DIASTEREOMER

Common Name

English

ATAZANAVIR SULFATE IMPURITY E [EP IMPURITY]

Common Name

English

METHYL ((5S,10R,11S,14S)-11-BENZYL-5-TERT-BUTYL-10-HYDROXY-15,15-DIMETHYL-3,6,13-TRIOXO-8-((4-(PYRIDIN-2-YL)PHENYL)METHYL)-2-OXA-4,7,8,12-TETRAAZAHEXADECAN-14-YL)CARBAMATE

Systematic Name

English

1,14-DIMETHYL (3S,8R,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

Systematic Name

English

(3S,8R,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

Systematic Name

English

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,8R,9S,12S)-

Systematic Name

English

8-EPIATAZANAVIR

Common Name

English

Code System Code Type Description

PUBCHEM

22940470

Created by admin on Sat Dec 16 18:53:48 GMT 2023 , Edited by admin on Sat Dec 16 18:53:48 GMT 2023

PRIMARY

EPA CompTox

DTXSID40629138