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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H41N6O7.Na
Molecular Weight 632.683
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BQ-123 SODIUM

SMILES

[Na+].CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC([O-])=O)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC1=O)C(C)C

InChI

InChIKey=FLIKEIGEOXCRRG-JKNHBXRPSA-M
InChI=1S/C31H42N6O7.Na/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21;/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39);/q;+1/p-1/t21-,22+,23+,24-,26+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C31H41N6O7
Molecular Weight 609.6932
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:00:45 UTC 2023
Edited
by admin
on Sat Dec 16 11:00:45 UTC 2023
Record UNII
05427HSQ1I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BQ-123 SODIUM
Common Name English
CYCLO(D-.ALPHA.-ASPARTYL-L-PROLYL-D-VALYL-L-LEUCYL-D-TRYPTOPHYL), MONOSODIUM SALT
Systematic Name English
Code System Code Type Description
DRUG BANK
DBSALT002128
Created by admin on Sat Dec 16 11:00:45 UTC 2023 , Edited by admin on Sat Dec 16 11:00:45 UTC 2023
PRIMARY
PUBCHEM
53229988
Created by admin on Sat Dec 16 11:00:45 UTC 2023 , Edited by admin on Sat Dec 16 11:00:45 UTC 2023
PRIMARY
CAS
136655-57-7
Created by admin on Sat Dec 16 11:00:45 UTC 2023 , Edited by admin on Sat Dec 16 11:00:45 UTC 2023
PRIMARY
FDA UNII
05427HSQ1I
Created by admin on Sat Dec 16 11:00:45 UTC 2023 , Edited by admin on Sat Dec 16 11:00:45 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY