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Details

Stereochemistry ABSOLUTE
Molecular Formula C59H74N18O14
Molecular Weight 1259.3311
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PEFORELIN

SMILES

NCCCC[C@H](NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC3=CNC=N3)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CNC5=CC=CC=C45)NC(=O)[C@H](CC6=CNC=N6)NC(=O)[C@@H]7CCC(=O)N7)C(=O)N8CCC[C@H]8C(=O)NCC(N)=O

InChI

InChIKey=RTASYRSYWSLWJV-CSYZDTNESA-N
InChI=1S/C59H74N18O14/c60-16-6-5-12-40(59(91)77-17-7-13-47(77)58(90)66-27-48(61)79)70-52(84)41(18-31-23-64-37-10-3-1-8-35(31)37)72-56(88)45(22-50(81)82)75-55(87)44(21-34-26-63-30-68-34)74-57(89)46(28-78)76-53(85)42(19-32-24-65-38-11-4-2-9-36(32)38)71-54(86)43(20-33-25-62-29-67-33)73-51(83)39-14-15-49(80)69-39/h1-4,8-11,23-26,29-30,39-47,64-65,78H,5-7,12-22,27-28,60H2,(H2,61,79)(H,62,67)(H,63,68)(H,66,90)(H,69,80)(H,70,84)(H,71,86)(H,72,88)(H,73,83)(H,74,89)(H,75,87)(H,76,85)(H,81,82)/t39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1

HIDE SMILES / InChI

Molecular Formula C59H74N18O14
Molecular Weight 1259.3311
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 4
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:49:31 UTC 2023
Edited
by admin
on Fri Dec 15 15:49:31 UTC 2023
Record UNII
UJ8NQ5Z0VX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PEFORELIN
INN  
INN  
Official Name English
GLYCINAMIDE, 5-OXO-L-PROLYL-L-HISTIDYL-L-TRYPTOPHYL-L-SERYL-L-HISTIDYL-L-.ALPHA.-ASPARTYL-L-TRYPTOPHYL-L-LYSYL-L-PROLYL-
Systematic Name English
PGLU-HIS-TRP-SER-HIS-ASP-TRP-LYS-PRO-GLY-NH2
Common Name English
PYROGLU-HIS-TRP-SER-HIS-ASP-TRP-LYS-PRO-GLY-NH2
Common Name English
LAMPREY LH-RH III
Common Name English
LUTEINIZING HORMONE-RELEASING FACTOR III (PETROMYZON MARINUS)
Common Name English
MAPRELIN XP10
Common Name English
LAMPREY GONADOTROPIN-RELEASING HORMONE-III
Common Name English
peforelin [INN]
Common Name English
GNRH III
Common Name English
PEFORELIN [MI]
Common Name English
Classification Tree Code System Code
WHO-VATC QH01CA95
Created by admin on Fri Dec 15 15:49:31 UTC 2023 , Edited by admin on Fri Dec 15 15:49:31 UTC 2023
Code System Code Type Description
INN
8617
Created by admin on Fri Dec 15 15:49:31 UTC 2023 , Edited by admin on Fri Dec 15 15:49:31 UTC 2023
PRIMARY
ChEMBL
CHEMBL2108043
Created by admin on Fri Dec 15 15:49:31 UTC 2023 , Edited by admin on Fri Dec 15 15:49:31 UTC 2023
PRIMARY
FDA UNII
UJ8NQ5Z0VX
Created by admin on Fri Dec 15 15:49:31 UTC 2023 , Edited by admin on Fri Dec 15 15:49:31 UTC 2023
PRIMARY
WIKIPEDIA
Peforelin
Created by admin on Fri Dec 15 15:49:31 UTC 2023 , Edited by admin on Fri Dec 15 15:49:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID30163819
Created by admin on Fri Dec 15 15:49:31 UTC 2023 , Edited by admin on Fri Dec 15 15:49:31 UTC 2023
PRIMARY
CAS
147859-97-0
Created by admin on Fri Dec 15 15:49:31 UTC 2023 , Edited by admin on Fri Dec 15 15:49:31 UTC 2023
PRIMARY
MERCK INDEX
m12183
Created by admin on Fri Dec 15 15:49:31 UTC 2023 , Edited by admin on Fri Dec 15 15:49:31 UTC 2023
PRIMARY
PUBCHEM
16197823
Created by admin on Fri Dec 15 15:49:31 UTC 2023 , Edited by admin on Fri Dec 15 15:49:31 UTC 2023
PRIMARY
NCI_THESAURUS
C170292
Created by admin on Fri Dec 15 15:49:31 UTC 2023 , Edited by admin on Fri Dec 15 15:49:31 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY