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Details

Stereochemistry ABSOLUTE
Molecular Formula C76H109N17O22
Molecular Weight 1612.7823
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Adarulatide tetraxetan

SMILES

CC(C)C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3CCCCC3)NC(=O)[C@H](CC(O)=O)NC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N[C@@H](CC5=CNC6=CC=CC=C56)C(=O)N[C@@H](CO)C(O)=O

InChI

InChIKey=CCUYJBQZJRRLHP-QSTRZJFTSA-N
InChI=1S/C76H109N17O22/c1-45(2)32-54(68(107)87-58(72(111)89-61(44-95)75(114)115)36-49-38-80-52-17-10-9-16-51(49)52)83-69(108)57(35-48-19-21-50(96)22-20-48)84-67(106)53(18-11-23-79-76(77)78)82-74(113)60(43-94)88-71(110)56(34-47-14-7-4-8-15-47)85-70(109)55(33-46-12-5-3-6-13-46)86-73(112)59(37-63(98)99)81-62(97)39-90-24-26-91(40-64(100)101)28-30-93(42-66(104)105)31-29-92(27-25-90)41-65(102)103/h4,7-10,14-17,19-22,38,45-46,53-61,80,94-96H,3,5-6,11-13,18,23-37,39-44H2,1-2H3,(H,81,97)(H,82,113)(H,83,108)(H,84,106)(H,85,109)(H,86,112)(H,87,107)(H,88,110)(H,89,111)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,114,115)(H4,77,78,79)/t53-,54+,55+,56+,57+,58+,59+,60-,61+/m1/s1

HIDE SMILES / InChI

Molecular Formula C76H109N17O22
Molecular Weight 1612.7823
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:18:41 GMT 2025
Edited
by admin
on Wed Apr 02 21:18:41 GMT 2025
Record UNII
CX3SCC7H5L
Record Status FAILED
Record Version
  • Download
Name Type Language
L-Serine, N-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]-L-?-aspartyl-3-cyclohexyl-L-alanyl-L-phenylalanyl-D-seryl-D-arginyl-L-tyrosyl-L-leucyl-L-tryptophyl-
Preferred Name English
Adarulatide tetraxetan
Common Name English
Code System Code Type Description
PUBCHEM
171390208
Created by admin on Wed Apr 02 21:18:41 GMT 2025 , Edited by admin on Wed Apr 02 21:18:41 GMT 2025
PRIMARY
SMS_ID
300000056727
Created by admin on Wed Apr 02 21:18:41 GMT 2025 , Edited by admin on Wed Apr 02 21:18:41 GMT 2025
PRIMARY
FDA UNII
CX3SCC7H5L
Created by admin on Wed Apr 02 21:18:41 GMT 2025 , Edited by admin on Wed Apr 02 21:18:41 GMT 2025
PRIMARY
CAS
1246013-02-4
Created by admin on Wed Apr 02 21:18:41 GMT 2025 , Edited by admin on Wed Apr 02 21:18:41 GMT 2025
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED