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Details

Stereochemistry ABSOLUTE
Molecular Formula C82H103ClN18O16
Molecular Weight 1632.259
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DGRX-hydentation

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[C@H]3NC(=O)NC3=O)C=C2)NC(=O)[C@H](CO)NC(=O)[C@@H](CC4=CN=CC=C4)NC(=O)[C@@H](CC5=CC=C(Cl)C=C5)NC(=O)[C@@H](CC6=CC=C7C=CC=CC7=C6)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N8CCC[C@H]8C(=O)N[C@H](C)C(N)=O

InChI

InChIKey=HYEREBNIDPRSAG-YAVPXVOBSA-N
InChI=1S/C82H103ClN18O16/c1-45(2)35-60(71(106)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-73(108)63(38-51-23-30-58(31-24-51)91-81(85)116)95-75(110)64(39-50-21-28-57(29-22-50)90-69(104)42-66-77(112)100-82(117)99-66)97-78(113)67(44-102)98-76(111)65(41-53-13-11-32-86-43-53)96-74(109)62(37-49-19-26-56(83)27-20-49)94-72(107)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,104)(H,92,106)(H,93,108)(H,94,107)(H,95,110)(H,96,109)(H,97,113)(H,98,111)(H3,85,91,116)(H2,99,100,112,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66-,67+,68+/m1/s1

HIDE SMILES / InChI

Molecular Formula C82H103ClN18O16
Molecular Weight 1632.259
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 17:20:48 GMT 2025
Edited
by admin
on Wed Apr 02 17:20:48 GMT 2025
Record UNII
46QG5HSS8U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DGRX-hydentation free base
Preferred Name English
DGRX-hydentation
Common Name English
Code System Code Type Description
FDA UNII
46QG5HSS8U
Created by admin on Wed Apr 02 17:20:48 GMT 2025 , Edited by admin on Wed Apr 02 17:20:48 GMT 2025
PRIMARY
PUBCHEM
167713288
Created by admin on Wed Apr 02 17:20:48 GMT 2025 , Edited by admin on Wed Apr 02 17:20:48 GMT 2025
PRIMARY
CAS
2820169-15-9
Created by admin on Wed Apr 02 17:20:48 GMT 2025 , Edited by admin on Wed Apr 02 17:20:48 GMT 2025
PRIMARY