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

Details

Stereochemistry ABSOLUTE
Molecular Formula C69H85FN16O13
Molecular Weight 1365.511
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(ACETYL-3,4-DEHYDROPROLINE), 2-(4-FLUORO-D-PHENYLALANINE), 3,6-(D-TRYPTOPHANE)-LHRH

SMILES

CC(C)C[C@H](NC(=O)[C@@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@H](CO)NC(=O)[C@@H](CC4=CNC5=C4C=CC=C5)NC(=O)[C@@H](CC6=CC=C(F)C=C6)NC(=O)[C@@H]7C=CCN7C(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N8CCC[C@H]8C(=O)NCC(N)=O

InChI

InChIKey=QGTIKBKZFGCSRS-FZANJEFGSA-N
InChI=1S/C69H85FN16O13/c1-38(2)29-51(60(91)78-50(15-8-26-74-69(72)73)68(99)86-28-10-16-57(86)66(97)77-36-59(71)90)79-63(94)54(32-42-34-75-48-13-6-4-11-46(42)48)81-61(92)52(31-41-20-24-45(89)25-21-41)80-65(96)56(37-87)84-64(95)55(33-43-35-76-49-14-7-5-12-47(43)49)82-62(93)53(30-40-18-22-44(70)23-19-40)83-67(98)58-17-9-27-85(58)39(3)88/h4-7,9,11-14,17-25,34-35,38,50-58,75-76,87,89H,8,10,15-16,26-33,36-37H2,1-3H3,(H2,71,90)(H,77,97)(H,78,91)(H,79,94)(H,80,96)(H,81,92)(H,82,93)(H,83,98)(H,84,95)(H4,72,73,74)/t50-,51-,52-,53+,54+,55+,56-,57-,58-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1-(ACETYL-3,4-DEHYDROPROLINE), 2-(4-FLUORO-D-PHENYLALANINE), 3,6-(D-TRYPTOPHANE)-LHRH
Common Name English
GLYCINAMIDE, 1-ACETYL-3,4-DIDEHYDRO-L-PROLYL-4-FLUORO-D-PHENYLALANYL-D-TRYPTOPHYL-L-SERYL-L-TYROSYL-D-TRYPTOPHYL-L-LEUCYL-L-ARGINYL-L-PROLYL-
Systematic Name English
Code System Code Type Description
FDA UNII
YXF9ED8J34
Created by admin on Fri Dec 15 15:51:50 GMT 2023 , Edited by admin on Fri Dec 15 15:51:50 GMT 2023
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PUBCHEM
25074422
Created by admin on Fri Dec 15 15:51:50 GMT 2023 , Edited by admin on Fri Dec 15 15:51:50 GMT 2023
PRIMARY
CAS
78708-43-7
Created by admin on Fri Dec 15 15:51:50 GMT 2023 , Edited by admin on Fri Dec 15 15:51:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID80229257
Created by admin on Fri Dec 15 15:51:50 GMT 2023 , Edited by admin on Fri Dec 15 15:51:50 GMT 2023
PRIMARY