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(2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide

PubChem SID
24424146
Structure
(2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide_small.png
External ID
Source Category
Governmental Organizations
Version
Status
Live
Related Compounds
PubChem CID
CID 441243 (Saquinavir)
Dates
  • Deposit:
    2007-04-19
  • Modify:
    2021-10-25
  • Available:
    2007-04-19
Description
Please note that the substance record is presented as provided to PubChem by the source (depositor). For standardized chemical structure and/or annotation information, please visit the summary page for CID 441243.

1 2D Structure

Chemical Structure Depiction
(2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide.png

2 3D Conformer

3 Identity

3.1 Source

3.2 External ID

3.3 Source Category

Governmental Organizations

3.4 Depositor-Supplied Synonyms

3.5 Deposit Date

2007-04-19

3.6 Modify Date

Version 1
Version 2
Version 3
Version 4
Version 5
Version 6
Version 7
Version 8
Version 9
Version 10
Version 11
Version 12
Version 13
2021-10-25 (currently shown)

3.7 Available Date

2007-04-19

3.8 Status

Live

4 Depositor Comments

PDB Accession Code 2NNK

Crystal structure analysis of HIV-1 protease mutant I84V with a inhibitor saquinavir

HYDROLASE/HYDROLASE INHIBITOR

Crystal structure analysis of HIV-1 protease mutant I84V with a inhibitor saquinavir; HIV-1 PROTEASE, MUTANT, I84V, DIMER, HYDROLASE-HYDROLASE INHIBITOR COMPLEX; Mol_id: 1; Molecule: PROTEASE; Chain: A, B; Synonym: RETROPEPSIN, PR; EC number: 3.4.23.16; Mutation: Q506K,L532I,L562I,C566A,I583V,C594A;

7 Information Sources

CONTENTS