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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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 4
Optical Activity UNSPECIFIED

Description

Peforelin, a decapeptide analog of the natural gonadotropin acts as the natural gonadotropin-releasing hormone (GnRH) agonist. This drug under the brand name Maprelin is used in veterinary to stimulate the reproductive function of sows after weaning piglets in the syndrome of sexual depression.

Approval Year

PubMed

Substance Class Chemical
Record UNII
UJ8NQ5Z0VX
Record Status Validated (UNII)
Record Version