(Q27278446)

English

pentetreotide

chemical compound

Pentetreotide

In more languages

Statements

type of chemical entity

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chemical compound

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chemical structure

Pentetreotide structure.svg
1,740 × 1,020; 65 KB

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1,393.568±0 dalton

1 reference

language of work or name

Pentetreotide (English)

14 October 2016

chemical formula

C₆₃H₈₇N₁₃O₁₉S₂

1 reference

language of work or name

Pentetreotide (English)

19 November 2016

canonical SMILES

CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)NC(CO)C(C)O)O

1 reference

language of work or name

Pentetreotide (English)

19 November 2016

isomeric SMILES

C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@H](CO)[C@@H](C)O)O

1 reference

language of work or name

Pentetreotide (English)

19 November 2016

Commons category

Pentetreotide

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Identifiers

InChI=1S/C63H87N13O19S2/c1-37(78)48(34-77)70-62(94)50-36-97-96-35-49(71-58(90)45(25-39-13-5-3-6-14-39)66-51(80)29-75(31-53(83)84)23-21-74(30-52(81)82)22-24-76(32-54(85)86)33-55(87)88)61(93)68-46(26-40-15-7-4-8-16-40)59(91)69-47(27-41-28-65-43-18-10-9-17-42(41)43)60(92)67-44(19-11-12-20-64)57(89)73-56(38(2)79)63(95)72-50/h3-10,13-18,28,37-38,44-50,56,65,77-79H,11-12,19-27,29-36,64H2,1-2H3,(H,66,80)(H,67,92)(H,68,93)(H,69,91)(H,70,94)(H,71,90)(H,72,95)(H,73,89)(H,81,82)(H,83,84)(H,85,86)(H,87,88)/t37-,38-,44+,45-,46+,47-,48-,49+,50+,56+/m1/s1

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CNLWNYCFDMAZCB-HUVROIHYSA-N

1 reference

language of work or name

Pentetreotide (English)

19 November 2016

CAS Registry Number

1 reference

Global Substance Registration System

language of work or name

pentetreotide (English)

19 November 2016

1 reference

language of work or name

pentetreotide (English)

19 November 2016

1 reference

language of work or name

Pentetreotide (English)

19 November 2016

1 reference

ChEBI release 2019-10-02

1 reference

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

1 reference

Global Substance Registration System

language of work or name

pentetreotide (English)

19 November 2016

1 reference

https://www.drugbank.ca/releases/latest#open-data

April 2018

1 reference

Global Substance Registration System

language of work or name

pentetreotide (English)

19 November 2016

Probes And Drugs ID

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Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(1 entry)

commonswiki Category:Pentetreotide

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