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Details

Stereochemistry ABSOLUTE
Molecular Formula C82H102ClN19O17
Molecular Weight 1661.257
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-degarelix

SMILES

CC(C)C[C@H](NC(=O)[C@@H](CC1=CC=C(NC(N)=O)C=C1)NC(=O)[C@H](CC2=CC=C(NC(=O)[C@@H]3CC(=O)NC(=O)N3)C=C2)NC(=O)[C@H](CO)NC(=O)[C@@H](CC4=CC=CN=C4)NC(=O)[C@@H](CC5=CC=C(Cl)C=C5)NC(=O)[C@@H](CC6=CC7=C(C=CC=C7)C=C6)NC(C)=O)C(=O)N[C@@H](CCCCN(N=O)C(C)C)C(=O)N8CCC[C@H]8C(=O)N[C@H](C)C(N)=O

InChI

InChIKey=MOGXPZLINYNYOY-XYAYPHGZSA-N
InChI=1S/C82H102ClN19O17/c1-45(2)35-60(72(108)91-59(16-9-10-34-102(100-119)46(3)4)80(116)101-33-12-17-68(101)79(115)87-47(5)70(84)106)92-74(110)63(38-51-23-30-58(31-24-51)90-81(85)117)94-76(112)64(39-50-21-28-57(29-22-50)89-71(107)66-42-69(105)99-82(118)98-66)96-78(114)67(44-103)97-77(113)65(41-53-13-11-32-86-43-53)95-75(111)62(37-49-19-26-56(83)27-20-49)93-73(109)61(88-48(6)104)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,103H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,106)(H,87,115)(H,88,104)(H,89,107)(H,91,108)(H,92,110)(H,93,109)(H,94,112)(H,95,111)(H,96,114)(H,97,113)(H3,85,90,117)(H2,98,99,105,118)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1

HIDE SMILES / InChI

Molecular Formula C82H102ClN19O17
Molecular Weight 1661.257
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:23:06 GMT 2025
Edited
by admin
on Wed Apr 02 18:23:06 GMT 2025
Record UNII
E78YSK6KUN
Record Status Validated (UNII)
Record Version
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Name Type Language
N-nitroso-degarelix
Preferred Name English
Code System Code Type Description
FDA UNII
E78YSK6KUN
Created by admin on Wed Apr 02 18:23:06 GMT 2025 , Edited by admin on Wed Apr 02 18:23:06 GMT 2025
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