CCK-8s I-125

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C58H69IN10O18S3
Molecular Weight	1415.324
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CSCC[C@H](NC(=O)[C@H](CC1=CC=C(OS(O)(=O)=O)C=C1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC2=CC([125I])=C(O)C=C2)C(=O)NCC(=O)N[C@@H](CC3=CNC4=C3C=CC=C4)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC5=CC=CC=C5)C(N)=O

InChI

InChIKey=MJCFIFDWYOCNHR-VUYOOUMPSA-N

InChI=1S/C58H69IN10O18S3/c1-88-22-20-40(65-55(80)43(26-34-12-16-36(17-13-34)87-90(84,85)86)68-57(82)45(28-50(73)74)63-48(71)19-15-33-14-18-47(70)38(59)24-33)53(78)62-31-49(72)64-44(27-35-30-61-39-11-7-6-10-37(35)39)56(81)66-41(21-23-89-2)54(79)69-46(29-51(75)76)58(83)67-42(52(60)77)25-32-8-4-3-5-9-32/h3-14,16-18,24,30,40-46,61,70H,15,19-23,25-29,31H2,1-2H3,(H2,60,77)(H,62,78)(H,63,71)(H,64,72)(H,65,80)(H,66,81)(H,67,83)(H,68,82)(H,69,79)(H,73,74)(H,75,76)(H,84,85,86)/t40-,41-,42-,43-,44-,45-,46-/m0/s1/i59-2

HIDE SMILES / InChI

Molecular Formula	C58H69IN10O18S3
Molecular Weight	1415.324
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:57:10 GMT 2023` Edited by `admin` on `Sat Dec 16 19:57:10 GMT 2023`
Record UNII	CUC5X94VSK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CCK-8s I-125

Common Name

English

CCK-8s reacted with I-125 bolton hunter reagent

Common Name

English

[125I]CCK-8s

Common Name

English

Code System Code Type Description

CAS

79672-09-6

Created by admin on Sat Dec 16 19:57:10 GMT 2023 , Edited by admin on Sat Dec 16 19:57:10 GMT 2023

PRIMARY

FDA UNII

CUC5X94VSK

Created by admin on Sat Dec 16 19:57:10 GMT 2023 , Edited by admin on Sat Dec 16 19:57:10 GMT 2023

PRIMARY

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