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CHEBI:750809 - cemadotin

Default Structure
ChEBI IDCHEBI:750809
ChEBI Namecemadotin
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC35H56N6O5
Net Charge0
Average Mass640.870
Monoisotopic Mass640.43122
SMILESCC(C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)C(C)C
InChIInChI=1S/C35H56N6O5/c1-22(2)28(37-32(43)29(23(3)4)38(7)8)34(45)39(9)30(24(5)6)35(46)41-20-14-18-27(41)33(44)40-19-13-17-26(40)31(42)36-21-25-15-11-10-12-16-25/h10-12,15-16,22-24,26-30H,13-14,17-21H2,1-9H3,(H,36,42)(H,37,43)/t26-,27-,28-,29-,30-/m0/s1
InChIKeyXSAKVDNHFRWJKS-IIZANFQQSA-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)
cemadotin (CHEBI:750809) is a peptide (CHEBI:16670)
INNs  Source
cemadotinWHO MedNet
cemadotinaWHO MedNet
cemadotineWHO MedNet
Synonym  Source
NSC-D-669356ChEMBL