olcegepant (CHEBI:748740)

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CHEBI:748740 - olcegepant

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ChEBI ID	CHEBI:748740
ChEBI Name	olcegepant
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C38H47Br2N9O5
Net Charge	0
Average Mass	869.660
Monoisotopic Mass	867.20669
SMILES	NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1
InChI	InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1
InChIKey	ITIXDWVDFFXNEG-JHOUSYSJSA-N

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	olcegepant (CHEBI:748740) is a dipeptide (CHEBI:46761)

INN	Source
olcegepant	WHO MedNet

Synonyms	Source
BIBN 4096 BS	ChEMBL
BIBN-4096 BS	ChEMBL
BIBN-4096BS	ChEMBL

Citations