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CHEBI:759907 - cep-2563 dihydrochloride

Default Structure
ChEBI IDCHEBI:759907
ChEBI Namecep-2563 dihydrochloride
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaHCl.HCl.C36H40N6O6
Net Charge0
Average Mass725.674
Monoisotopic Mass724.25429
SMILESCl.Cl.[H][C@]12C[C@@](COC(=O)CCNC(=O)[C@@H](N)CCCCN)(OC)[C@](C)(O1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
InChIInChI=1S/C36H40N6O6.2ClH/c1-35-36(46-2,19-47-27(43)14-16-39-33(44)23(38)11-7-8-15-37)17-26(48-35)41-24-12-5-3-9-20(24)29-30-22(18-40-34(30)45)28-21-10-4-6-13-25(21)42(35)32(28)31(29)41;;/h3-6,9-10,12-13,23,26H,7-8,11,14-19,37-38H2,1-2H3,(H,39,44)(H,40,45);2*1H/t23-,26+,35-,36-;;/m0../s1
InChIKeyPBEVPBFDKPJIOM-HQKLUXGTSA-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)
cep-2563 dihydrochloride (CHEBI:759907) is a peptide (CHEBI:16670)
Synonyms  Source
Cep-2563ChEMBL
CEP-2563 DIHYDROCHLORIDEChEMBL
KT-8391ChEMBL