HYDRAZINONICOTINYL-TYR3-OCTREOTIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C55H71N13O12S2
Molecular Weight	1170.362
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of HYDRAZINONICOTINYL-TYR3-OCTREOTIDE

Structure Search

SMILES

C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C3=CC=C(NN)N=C3)C(=O)N[C@@H](CC4=CC=C(O)C=C4)C(=O)N[C@H](CC5=CNC6=C5C=CC=C6)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1

InChI

InChIKey=WJBPMDZACHSXSD-HLAGHTPDSA-N

InChI=1S/C55H71N13O12S2/c1-30(70)43(27-69)64-54(79)45-29-82-81-28-44(65-51(76)40(22-32-10-4-3-5-11-32)61-48(73)34-17-20-46(68-57)59-25-34)53(78)62-41(23-33-15-18-36(72)19-16-33)50(75)63-42(24-35-26-58-38-13-7-6-12-37(35)38)52(77)60-39(14-8-9-21-56)49(74)67-47(31(2)71)55(80)66-45/h3-7,10-13,15-20,25-26,30-31,39-45,47,58,69-72H,8-9,14,21-24,27-29,56-57H2,1-2H3,(H,59,68)(H,60,77)(H,61,73)(H,62,78)(H,63,75)(H,64,79)(H,65,76)(H,66,80)(H,67,74)/t30-,31-,39+,40-,41+,42-,43-,44+,45+,47+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C55H71N13O12S2
Molecular Weight	1170.362
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 02:00:15 GMT 2025` Edited by `admin` on `Wed Apr 02 02:00:15 GMT 2025`
Record UNII	XBO8UII5SV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HYDRAZINONICOTINYL-TYR3-OCTREOTIDE

Common Name

English

HYNIC-TOC

Preferred Name

English

N-((6-HYDRAZINYL-3-PYRIDINYL)CARBONYL)-D-PHENYLALANYL-L-CYSTEINYL-L-TYROSYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-((1R,2R)-2-HYDROXY-1-(HYDROXYMETHYL)PROPYL)-L-CYSTEINAMIDE CYCLIC (2->7)-DISULFIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

137331866

Created by admin on Wed Apr 02 02:00:15 GMT 2025 , Edited by admin on Wed Apr 02 02:00:15 GMT 2025

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FDA UNII

XBO8UII5SV

Created by admin on Wed Apr 02 02:00:15 GMT 2025 , Edited by admin on Wed Apr 02 02:00:15 GMT 2025

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CAS

913556-62-4

Created by admin on Wed Apr 02 02:00:15 GMT 2025 , Edited by admin on Wed Apr 02 02:00:15 GMT 2025

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