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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H51N5O7
Molecular Weight 643.8104
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Vodudeutentan

SMILES

[2H]C[C@H]1CCC[C@@H](C[2H])N1C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@H](CC2=CN(C(=O)OC)C3=C2C=CC=C3)C(=O)N[C@H](CCCC)C(O)=O

InChI

InChIKey=LPAHKJMGDSJDRG-ZEYDBOQPSA-N
InChI=1S/C34H51N5O7/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t21-,22+,25-,26-,27+/m1/s1/i2D,3D

HIDE SMILES / InChI

Molecular Formula C34H51N5O7
Molecular Weight 643.8104
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 06:15:46 GMT 2025
Edited
by admin
on Wed Apr 02 06:15:46 GMT 2025
Record UNII
2YCH69X4OX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Vodudeutentan
INN  
Official Name English
BQ-788 FREE ACID, DI(METHYL-D)-
Preferred Name English
vodudeutentan [INN]
Common Name English
D-NORLEUCINE, N-((CIS-2,6-DI(METHYL-D)-1-PIPERIDINYL)CARBONYL)-4-METHYL-L-LEUCYL-1-(METHOXYCARBONYL)-D-TRYPTOPHYL-
Systematic Name English
N-{[(2R,6S)-2,6-di[(²H?)methyl]piperidine-1-carbonyl}-4-methyl-L-leucyl-1-(methoxycarbonyl)-D-tryptophyl-(2R)-2-aminohexanoic acid
Systematic Name English
Code System Code Type Description
CAS
2364365-83-1
Created by admin on Wed Apr 02 06:15:46 GMT 2025 , Edited by admin on Wed Apr 02 06:15:46 GMT 2025
PRIMARY
PUBCHEM
145722613
Created by admin on Wed Apr 02 06:15:46 GMT 2025 , Edited by admin on Wed Apr 02 06:15:46 GMT 2025
PRIMARY
SMS_ID
300000047416
Created by admin on Wed Apr 02 06:15:46 GMT 2025 , Edited by admin on Wed Apr 02 06:15:46 GMT 2025
PRIMARY
NCI_THESAURUS
C190349
Created by admin on Wed Apr 02 06:15:46 GMT 2025 , Edited by admin on Wed Apr 02 06:15:46 GMT 2025
PRIMARY
FDA UNII
2YCH69X4OX
Created by admin on Wed Apr 02 06:15:46 GMT 2025 , Edited by admin on Wed Apr 02 06:15:46 GMT 2025
PRIMARY
INN
12266
Created by admin on Wed Apr 02 06:15:46 GMT 2025 , Edited by admin on Wed Apr 02 06:15:46 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
NON-LABELED -> LABELED
Related Record Type Details
ACTIVE MOIETY