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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H39N5O7
Molecular Weight 573.6655
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DADLE H-3

SMILES

[3H]C1=CC(C[C@H](N)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CC(C)C)C(O)=O)=CC([3H])=C1O

InChI

InChIKey=ZHUJMSMQIPIPTF-KXXVQUKNSA-N
InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1/i11T,12T

HIDE SMILES / InChI

Molecular Formula C29H39N5O7
Molecular Weight 573.6655
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:10:11 GMT 2023
Edited
by admin
on Sat Dec 16 20:10:11 GMT 2023
Record UNII
HNS3BS73HT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DADLE H-3
Common Name English
[3H]DADLE
Common Name English
ENKEPHALIN-(2-D-ALA, 5-D-LEU)- H-3
Common Name English
D-Leucine, N-[N-[N-[N-(L-tyrosyl-3,5-t2)-D-alanyl]glycyl]-L-phenylalanyl]-
Systematic Name English
D-Leucine, L-tyrosyl-3,5-t2-D-alanylglycyl-L-phenylalanyl-
Common Name English
Code System Code Type Description
PUBCHEM
6917707
Created by admin on Sat Dec 16 20:10:11 GMT 2023 , Edited by admin on Sat Dec 16 20:10:11 GMT 2023
PRIMARY
FDA UNII
HNS3BS73HT
Created by admin on Sat Dec 16 20:10:11 GMT 2023 , Edited by admin on Sat Dec 16 20:10:11 GMT 2023
PRIMARY
CAS
78325-09-4
Created by admin on Sat Dec 16 20:10:11 GMT 2023 , Edited by admin on Sat Dec 16 20:10:11 GMT 2023
PRIMARY
Related Record Type Details
TARGET->RADIOLIGAND
Kd
NON-LABELED -> LABELED