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CHEBI:123388 - 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid [2-(cyclooctylamino)-2-oxoethyl] ester

ChEBI IDCHEBI:123388
ChEBI Name3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid [2-(cyclooctylamino)-2-oxoethyl] ester
Stars
DownloadsMolfile
FormulaC20H27N3O5S
Net Charge0
Average Mass421.519
Monoisotopic Mass421.16714
SMILESO=C(COC(=O)CCNC1=NS(=O)(=O)c2ccccc21)NC1CCCCCCC1
InChIInChI=1S/C20H27N3O5S/c24-18(22-15-8-4-2-1-3-5-9-15)14-28-19(25)12-13-21-20-16-10-6-7-11-17(16)29(26,27)23-20/h6-7,10-11,15H,1-5,8-9,12-14H2,(H,21,23)(H,22,24)
InChIKeyHBPXDRUBDPGVTB-UHFFFAOYSA-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)
3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid [2-(cyclooctylamino)-2-oxoethyl] ester (CHEBI:123388) is a depsipeptide (CHEBI:23643)
Manual XrefsDatabases
LSM-34830LINCS