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Details

Stereochemistry ABSOLUTE
Molecular Formula C74H95ClN19O21S2.Ga
Molecular Weight 1755.967
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SATOREOTIDE TETRAXETAN GALLIUM GA-68

SMILES

[Ga+3].[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CC=C(NC(N)=O)C=C2)NC(=O)[C@H](CC3=CC=C(NC(=O)[C@@H]4CC(=O)NC(=O)N4)C=C3)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@H](CC5=CC=C(O)C=C5)C(N)=O)NC(=O)[C@H](CC6=CC=C(Cl)C=C6)NC(=O)CN7CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC7)[C@@H](C)O

InChI

InChIKey=OXWPSSRXRLUMOE-MCXYZKKKSA-K
InChI=1S/C74H98ClN19O21S2.Ga/c1-41(95)63-72(113)87-57(70(111)83-51(64(77)105)30-45-11-19-49(96)20-12-45)40-117-116-39-56(86-67(108)52(31-42-5-13-46(75)14-6-42)81-59(98)35-91-22-24-92(36-60(99)100)26-28-94(38-62(103)104)29-27-93(25-23-91)37-61(101)102)71(112)85-54(33-43-7-15-47(16-8-43)79-66(107)55-34-58(97)89-74(115)88-55)69(110)84-53(32-44-9-17-48(18-10-44)80-73(78)114)68(109)82-50(65(106)90-63)4-2-3-21-76;/h5-20,41,50-57,63,95-96H,2-4,21-40,76H2,1H3,(H2,77,105)(H,79,107)(H,81,98)(H,82,109)(H,83,111)(H,84,110)(H,85,112)(H,86,108)(H,87,113)(H,90,106)(H,99,100)(H,101,102)(H,103,104)(H3,78,80,114)(H2,88,89,97,115);/q;+3/p-3/t41-,50+,51-,52+,53-,54+,55+,56-,57+,63+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C74H95ClN19O21S2
Molecular Weight 1686.244
Charge -3
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 5
Optical Activity UNSPECIFIED

Molecular Formula Ga
Molecular Weight 69.723
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:41:46 GMT 2023
Edited
by admin
on Sat Dec 16 14:41:46 GMT 2023
Record UNII
2GV1V83HAB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SATOREOTIDE TETRAXETAN GALLIUM GA-68
Common Name English
68GA-DOTA-JR-11
Code English
68GA-OPS201
Code English
OPS-201 GALLIUM GA-68
Code English
(68GA)-GALLIUM-DOTA-JR11
Common Name English
68GA-DOTA-CPA-CYCLO(D-CYS-APH (HOR)-D-APH (CBM)-LYS-THR-CYS)-D-TYR-NH2
Common Name English
Code System Code Type Description
FDA UNII
2GV1V83HAB
Created by admin on Sat Dec 16 14:41:46 GMT 2023 , Edited by admin on Sat Dec 16 14:41:46 GMT 2023
PRIMARY
PUBCHEM
138320009
Created by admin on Sat Dec 16 14:41:46 GMT 2023 , Edited by admin on Sat Dec 16 14:41:46 GMT 2023
PRIMARY
CAS
1934243-18-1
Created by admin on Sat Dec 16 14:41:46 GMT 2023 , Edited by admin on Sat Dec 16 14:41:46 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
NON-LABELED -> LABELED