TYR(3)-OCTREOTIDE I-123

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H65IN10O11S2
Molecular Weight	1157.136
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC([123I])=C(O)C=C3)C(=O)N[C@H](CC4=CNC5=C4C=CC=C5)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1

InChI

InChIKey=HAEDWNRNLYOMDG-BPLRQGLJSA-N

InChI=1S/C49H65IN10O11S2/c1-26(62)38(23-61)57-48(70)40-25-73-72-24-39(58-43(65)33(52)19-28-10-4-3-5-11-28)47(69)55-36(20-29-15-16-41(64)32(50)18-29)45(67)56-37(21-30-22-53-34-13-7-6-12-31(30)34)46(68)54-35(14-8-9-17-51)44(66)60-42(27(2)63)49(71)59-40/h3-7,10-13,15-16,18,22,26-27,33,35-40,42,53,61-64H,8-9,14,17,19-21,23-25,51-52H2,1-2H3,(H,54,68)(H,55,69)(H,56,67)(H,57,70)(H,58,65)(H,59,71)(H,60,66)/t26-,27-,33-,35+,36+,37-,38-,39+,40+,42+/m1/s1/i50-4

HIDE SMILES / InChI

Molecular Formula	C49H65IN10O11S2
Molecular Weight	1157.136
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:15:14 GMT 2025` Edited by `admin` on `Mon Mar 31 18:15:14 GMT 2025`
Record UNII	7PBO3W74TY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(123I)-LABELED TYR-3-OCTREOTIDE

Preferred Name

English

TYR(3)-OCTREOTIDE I-123

Common Name

English

(123I-TYR3)OCTREOTIDE

Common Name

English

L-CYSTEINAMIDE, D-PHENYLALANYL-L-CYSTEINYL-3-(IODO-123I)-L-TYROSYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-((1R,2R)-2-HYDROXY-1-(HYDROXYMETHYL)PROPYL)-, CYCLIC (2->7)-DISULFIDE

Systematic Name

English

Code System Code Type Description

CAS

184584-18-7

Created by admin on Mon Mar 31 18:15:14 GMT 2025 , Edited by admin on Mon Mar 31 18:15:14 GMT 2025

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FDA UNII

7PBO3W74TY

Created by admin on Mon Mar 31 18:15:14 GMT 2025 , Edited by admin on Mon Mar 31 18:15:14 GMT 2025

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PUBCHEM

124220548

Created by admin on Mon Mar 31 18:15:14 GMT 2025 , Edited by admin on Mon Mar 31 18:15:14 GMT 2025

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