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CHEBI:751992 - detirelix acetate

Default Structure
ChEBI IDCHEBI:751992
ChEBI Namedetirelix acetate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC78H105ClN18O13
Net Charge0
Average Mass1538.264
Monoisotopic Mass1536.77970
SMILESCC/N=C(/NCC)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
InChIInChI=1S/C78H105ClN18O13/c1-7-83-78(84-8-2)86-34-14-13-21-58(68(102)92-60(37-45(3)4)69(103)91-59(22-15-35-85-77(81)82)76(110)97-36-16-23-66(97)75(109)88-46(5)67(80)101)90-71(105)62(40-49-27-32-55(100)33-28-49)94-74(108)65(44-98)96-73(107)64(42-53-43-87-57-20-12-11-19-56(53)57)95-72(106)63(39-48-25-30-54(79)31-26-48)93-70(104)61(89-47(6)99)41-50-24-29-51-17-9-10-18-52(51)38-50/h9-12,17-20,24-33,38,43,45-46,58-66,87,98,100H,7-8,13-16,21-23,34-37,39-42,44H2,1-6H3,(H2,80,101)(H,88,109)(H,89,99)(H,90,105)(H,91,103)(H,92,102)(H,93,104)(H,94,108)(H,95,106)(H,96,107)(H4,81,82,85)(H2,83,84,86)/t46-,58+,59+,60+,61-,62+,63+,64+,65+,66+/m1/s1
InChIKeyOFQNFLLLCMQNEP-KQCGYNJJSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
detirelix acetate (CHEBI:751992) is a polypeptide (CHEBI:15841)
INN  Source
detirelixWHO MedNet
Synonyms  Source
Detirelix acetateChEMBL
RS-68439ChEMBL