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CHEBI:125437 - N-(2-aminophenyl)-7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanamide

ChEBI IDCHEBI:125437
ChEBI NameN-(2-aminophenyl)-7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanamide
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DownloadsMolfile
FormulaC27H31ClN4O3S
Net Charge0
Average Mass527.090
Monoisotopic Mass526.18054
SMILESCN1c2ccccc2C(NCCCCCCC(=O)Nc2ccccc2N)c2ccc(Cl)cc2S1(=O)=O
InChIInChI=1S/C27H31ClN4O3S/c1-32-24-13-8-5-10-20(24)27(21-16-15-19(28)18-25(21)36(32,34)35)30-17-9-3-2-4-14-26(33)31-23-12-7-6-11-22(23)29/h5-8,10-13,15-16,18,27,30H,2-4,9,14,17,29H2,1H3,(H,31,33)
InChIKeyMDZWCUNUQCQODR-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)
N-(2-aminophenyl)-7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanamide (CHEBI:125437) is a aromatic amide (CHEBI:62733)
N-(2-aminophenyl)-7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanamide (CHEBI:125437) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
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