histrelin acetate (Q27895770)

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chemical compound

5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-1-benzyl-D-histidyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide acetate (1:2)

Language	Label	Description	Also known as
English	histrelin acetate	chemical compound	5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-1-benzyl-D-histidyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide acetate (1:2)

Statements

type of chemical entity

0 references

tryptamine alkaloid

1 reference

based on heuristic

inferred from SMILES

1,442.7095189279994 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₇₀H₉₄N₁₈O₁₆

1 reference

language of work or name

Vantas (English)

20 November 2016

canonical SMILES

CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC2=CN(C=N2)CC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8.CC(=O)O.CC(=O)O

1 reference

language of work or name

Vantas (English)

20 November 2016

isomeric SMILES

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CN(C=N2)CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O.CC(=O)O

1 reference

language of work or name

Vantas (English)

20 November 2016

Identifiers

InChI=1S/C66H86N18O12.2C2H4O2/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47;2*1-2(3)4/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71);2*1H3,(H,3,4)/t47-,48-,49-,50-,51-,52-,53 ,54-,55-;;/m0../s1

1 reference

based on heuristic

inferred from SMILES

BKEMVGVBBDMHKL-VYFXDUNUSA-N

2 references

language of work or name

Vantas (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

1 reference

Global Substance Registration System

language of work or name

histrelin acetate (English)

20 November 2016

1 reference

language of work or name

Histrelin acetate (English)

20 November 2016

2 references

language of work or name

Vantas (English)

20 November 2016

matched by identifier from

BKEMVGVBBDMHKL-VYFXDUNUSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C66H86N18O12.2C2H4O2/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47;2*1-2(3)4/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71);2*1H3,(H,3,4)/t47-,48-,49-,50-,51-,52-,53 ,54-,55-;;/m0../s1

UniChem compound ID

1 reference

DSSTox substance ID

0 references

DSSTOX compound identifier

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

[No public or meaningful name is available] (English)

CAS no.: 220810-26-4 (English)

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

[No public or meaningful name is available] (English)

CAS no.: 220810-26-4 (English)

1 reference

Global Substance Registration System

language of work or name

histrelin acetate (English)

20 November 2016

1 reference

matched by identifier from

BKEMVGVBBDMHKL-VYFXDUNUSA-N

2 references

Global Substance Registration System

language of work or name

histrelin acetate (English)

20 November 2016

matched by identifier from

BKEMVGVBBDMHKL-VYFXDUNUSA-N

1 reference

Global Substance Registration System

language of work or name

histrelin acetate (English)

20 November 2016

Probes And Drugs ID

0 references

histrelin-acetate

0 references

1 reference

Global Substance Registration System

language of work or name

histrelin acetate (English)

20 November 2016

Sitelinks

Wikipedia(3 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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