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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H51N5O4
Molecular Weight 533.7463
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DROXINAVIR

SMILES

CNCC(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CCC(C)C)C(=O)NC(C)(C)C)C(C)(C)C

InChI

InChIKey=ICOKEKQSBZSLIB-JBRSBNLGSA-N
InChI=1S/C29H51N5O4/c1-20(2)15-16-34(27(38)33-29(6,7)8)19-23(35)22(17-21-13-11-10-12-14-21)31-26(37)25(28(3,4)5)32-24(36)18-30-9/h10-14,20,22-23,25,30,35H,15-19H2,1-9H3,(H,31,37)(H,32,36)(H,33,38)/t22-,23+,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H51N5O4
Molecular Weight 533.7463
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:01:45 UTC 2023
Edited
by admin
on Sat Dec 16 17:01:45 UTC 2023
Record UNII
3CF21QCB9J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DROXINAVIR
INN  
INN  
Official Name English
3-TERT-BUTYL-1-((2R,3S)-3-((2S)-3,3-DIMETHYL-2-(2-(METHYLAMINO)ACETAMIDO)BUTYRAMIDO)-2-HYDROXY-4-PHENYLBUTYL)-1-ISOPENTYLUREA
Systematic Name English
L-VALINAMIDE, N-METHYLGLYCYL-N-(3-((((1,1-DIMETHYLETHYL)AMINO)CARBONYL)(3-METHYLBUTYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-METHYL
Common Name English
droxinavir [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C97366
Created by admin on Sat Dec 16 17:01:45 UTC 2023 , Edited by admin on Sat Dec 16 17:01:45 UTC 2023
Code System Code Type Description
WIKIPEDIA
Droxinavir
Created by admin on Sat Dec 16 17:01:45 UTC 2023 , Edited by admin on Sat Dec 16 17:01:45 UTC 2023
PRIMARY
SMS_ID
100000081011
Created by admin on Sat Dec 16 17:01:45 UTC 2023 , Edited by admin on Sat Dec 16 17:01:45 UTC 2023
PRIMARY
EPA CompTox
DTXSID30166769
Created by admin on Sat Dec 16 17:01:45 UTC 2023 , Edited by admin on Sat Dec 16 17:01:45 UTC 2023
PRIMARY
INN
7412
Created by admin on Sat Dec 16 17:01:45 UTC 2023 , Edited by admin on Sat Dec 16 17:01:45 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110878
Created by admin on Sat Dec 16 17:01:45 UTC 2023 , Edited by admin on Sat Dec 16 17:01:45 UTC 2023
PRIMARY
PUBCHEM
465403
Created by admin on Sat Dec 16 17:01:45 UTC 2023 , Edited by admin on Sat Dec 16 17:01:45 UTC 2023
PRIMARY
FDA UNII
3CF21QCB9J
Created by admin on Sat Dec 16 17:01:45 UTC 2023 , Edited by admin on Sat Dec 16 17:01:45 UTC 2023
PRIMARY
EVMPD
SUB06421MIG
Created by admin on Sat Dec 16 17:01:45 UTC 2023 , Edited by admin on Sat Dec 16 17:01:45 UTC 2023
PRIMARY
CAS
159910-86-8
Created by admin on Sat Dec 16 17:01:45 UTC 2023 , Edited by admin on Sat Dec 16 17:01:45 UTC 2023
PRIMARY
NCI_THESAURUS
C73145
Created by admin on Sat Dec 16 17:01:45 UTC 2023 , Edited by admin on Sat Dec 16 17:01:45 UTC 2023
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY