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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H39N5O7S2
Molecular Weight 645.79
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DPDPE

SMILES

CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H]1C(O)=O

InChI

InChIKey=MCMMCRYPQBNCPH-WMIMKTLMSA-N
InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H39N5O7S2
Molecular Weight 645.79
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 Fri Dec 15 15:42:20 UTC 2023
Edited
by admin
on Fri Dec 15 15:42:20 UTC 2023
Record UNII
HB4QD9GL6F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DPDPE
Common Name English
D-Pen2,D-Pen5]enkephalin
Common Name English
L-Tyrosyl-D-penicillamyl-glycyl-L-phenylalanyl-D-penicillamine (2->5)-disulfide
Common Name English
H-Tyr-D-Pen(1)-Gly-Phe-D-Pen(1)-OH
Common Name English
Code System Code Type Description
WIKIPEDIA
DADLE
Created by admin on Fri Dec 15 15:42:20 UTC 2023 , Edited by admin on Fri Dec 15 15:42:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID40979842
Created by admin on Fri Dec 15 15:42:20 UTC 2023 , Edited by admin on Fri Dec 15 15:42:20 UTC 2023
PRIMARY
PUBCHEM
104787
Created by admin on Fri Dec 15 15:42:20 UTC 2023 , Edited by admin on Fri Dec 15 15:42:20 UTC 2023
PRIMARY
CAS
88373-73-3
Created by admin on Fri Dec 15 15:42:20 UTC 2023 , Edited by admin on Fri Dec 15 15:42:20 UTC 2023
PRIMARY
FDA UNII
HB4QD9GL6F
Created by admin on Fri Dec 15 15:42:20 UTC 2023 , Edited by admin on Fri Dec 15 15:42:20 UTC 2023
PRIMARY
DRUG BANK
DB08856
Created by admin on Fri Dec 15 15:42:20 UTC 2023 , Edited by admin on Fri Dec 15 15:42:20 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
TARGET -> AGONIST
Kd
TARGET -> AGONIST
BINDING
IC50
Related Record Type Details
ACTIVE MOIETY