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CHEBI:754877 - barusiban

Default Structure
ChEBI IDCHEBI:754877
ChEBI Namebarusiban
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC40H63N9O8S
Net Charge0
Average Mass830.066
Monoisotopic Mass829.45203
SMILES[H][C@@]1([C@H](C)CC)NC(=O)[C@]([H])([C@@H](C)CC)NC(=O)[C@@H](Cc2cnc3ccccc23)NC(=O)CCSCC[C@@H](C(=O)N(C)[C@H](CO)CCCN)NC(=O)[C@H](CC(N)=O)NC1=O
InChIInChI=1S/C40H63N9O8S/c1-6-23(3)34-38(55)46-31(20-32(42)51)36(53)45-29(40(57)49(5)26(22-50)11-10-16-41)14-17-58-18-15-33(52)44-30(19-25-21-43-28-13-9-8-12-27(25)28)37(54)47-35(24(4)7-2)39(56)48-34/h8-9,12-13,21,23-24,26,29-31,34-35,43,50H,6-7,10-11,14-20,22,41H2,1-5H3,(H2,42,51)(H,44,52)(H,45,53)(H,46,55)(H,47,54)(H,48,56)/t23-,24+,26+,29+,30-,31+,34+,35+/m1/s1
InChIKeyUGNGRKKDUVKQDF-IHOMMZCZSA-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)
barusiban (CHEBI:754877) is a polypeptide (CHEBI:15841)
INN  Source
barusibanWHO MedNet
Synonym  Source
Fe-200440ChEMBL