EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:750987 - ambamustine

Default Structure
ChEBI IDCHEBI:750987
ChEBI Nameambamustine
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC29H39Cl2FN4O4S
Net Charge0
Average Mass629.626
Monoisotopic Mass628.20531
SMILESCCOC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1cccc(N(CCCl)CCCl)c1)NC(=O)[C@@H](N)Cc1ccc(F)cc1
InChIInChI=1S/C29H39Cl2FN4O4S/c1-3-40-29(39)25(11-16-41-2)34-28(38)26(35-27(37)24(33)18-20-7-9-22(32)10-8-20)19-21-5-4-6-23(17-21)36(14-12-30)15-13-31/h4-10,17,24-26H,3,11-16,18-19,33H2,1-2H3,(H,34,38)(H,35,37)/t24-,25-,26-/m0/s1
InChIKeyXPGDODOEEWLHOI-GSDHBNRESA-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)
ambamustine (CHEBI:750987) is a polypeptide (CHEBI:15841)
INNs  Source
ambamustinaWHO MedNet
ambamustineWHO MedNet