U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C42H46N6O4
Molecular Weight 698.8524
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ATAZANAVIR BENZYLIDENEHYDRAZINE CARBAMATE

SMILES

COC(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC2=CC=C(C=C2)C3=NC=CC=C3)\N=C\C4=CC=C(C=C4)C5=CC=CC=N5)C(C)(C)C

InChI

InChIKey=HOPFNLLKYXJCMM-ZPYIBGJPSA-N
InChI=1S/C42H46N6O4/c1-42(2,3)39(47-41(51)52-4)40(50)46-37(26-30-12-6-5-7-13-30)38(49)29-48(28-32-18-22-34(23-19-32)36-15-9-11-25-44-36)45-27-31-16-20-33(21-17-31)35-14-8-10-24-43-35/h5-25,27,37-39,49H,26,28-29H2,1-4H3,(H,46,50)(H,47,51)/b45-27+/t37-,38-,39+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ATAZANAVIR BENZYLIDENEHYDRAZINE CARBAMATE
Common Name English
ATAZANAVIR SULFATE IMPURITY I [EP IMPURITY]
Common Name English
METHYL ((2S)-1-(((2S,3S)-3-HYDROXY-1-PHENYL-4-((E)-1-((4-(PYRIDIN-2-YL)PHENYL)METHYL)-2-((4-(PYRIDIN-2-YL)PHENYL)METHYLIDENE)HYDRAZIN-1-YL)BUTAN-2-YL)AMINO)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE
Systematic Name English
Code System Code Type Description
PUBCHEM
156613710
Created by admin on Sat Dec 16 18:35:12 GMT 2023 , Edited by admin on Sat Dec 16 18:35:12 GMT 2023
PRIMARY
FDA UNII
M37WBB2FGB
Created by admin on Sat Dec 16 18:35:12 GMT 2023 , Edited by admin on Sat Dec 16 18:35:12 GMT 2023
PRIMARY