fertirelin (Q27286835)

PubChem

PubChem CID

188304

38234-21-8 (English)

14 October 2016

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6

1 reference

English

38234-21-8 (English)

InChI=1S/C55H76N16O12/c1-4-59-53(82)44-12-8-20-71(44)54(83)38(11-7-19-60-55(56)57)66-49(78)39(21-30(2)3)65-46(75)27-62-47(76)40(22-31-13-15-34(73)16-14-31)67-52(81)43(28-72)70-50(79)41(23-32-25-61-36-10-6-5-9-35(32)36)68-51(80)42(24-33-26-58-29-63-33)69-48(77)37-17-18-45(74)64-37/h5-6,9-10,13-16,25-26,29-30,37-44,61,72-73H,4,7-8,11-12,17-24,27-28H2,1-3H3,(H,58,63)(H,59,82)(H,62,76)(H,64,74)(H,65,75)(H,66,78)(H,67,81)(H,68,80)(H,69,77)(H,70,79)(H4,56,57,60)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

DGCPIBPDYFLAAX-YTAGXALCSA-N

1 reference

Global Substance Registration System

38234-21-8 (English)

14 October 2016

1 reference

UNII

Q041AO6T91

fertirelin (English)

14 October 2016

1 reference

English

5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosylglycyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide (English)

14 October 2016

1 reference

38234-21-8 (English)

14 October 2016

mapping relation type

exact match

1 reference

ChEBI release 2022-06-13

1 reference

English

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

CHEMBL3272563 (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID9031517

0 references

EC number

636-807-5

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.164.570

27 December 2018

ECHA Substance Infocard ID

(2S)-1-[(2S)-5-[(diaminomethylidene)amino]-2-[(2S)-2-{2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-5-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-4-methylpentanamido]pentanoyl]-N-ethylpyrrolidine-2-carboxamide (English)

quotation

CAS no.: 38234-21-8 (English)

100.164.570

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.164.570

27 December 2018

Guide to Pharmacology Ligand ID

(2S)-1-[(2S)-5-[(diaminomethylidene)amino]-2-[(2S)-2-{2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-5-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-4-methylpentanamido]pentanoyl]-N-ethylpyrrolidine-2-carboxamide (English)

quotation

CAS no.: 38234-21-8 (English)

9341

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY