CHEBI:109493 - 2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester

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ChEBI Name 2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
ChEBI ID CHEBI:109493
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H23N5O3S
Net Charge 0
Average Mass 389.474
Monoisotopic Mass 389.15216
InChI InChI=1S/C18H23N5O3S/c1-2-26-17(25)14-10-6-7-11-15(14)19-16(24)12-27-18-20-21-22-23(18)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,24)
InChIKey VUFMASCGMANIAG-UHFFFAOYSA-N
SMILES CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=NN2C3CCCCC3
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester (CHEBI:109493) is a amidobenzoic acid (CHEBI:48470)
Manual Xref Database
LSM-20891 LINCS
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