Terminology Service for NFDI4Health
2-[[(3-amino-4-carbamoyl-5-cyclohexylimino-2H-thiophen-2-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
Go to external page
http://purl.obolibrary.org/obo/CHEBI_117035
Term info
Label
2-[[(3-amino-4-carbamoyl-5-cyclohexylimino-2H-thiophen-2-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
Subsets
2_STAR
charge
0
formula
C22H28N4O4S2
has obo namespace
chebi_ontology
id
CHEBI:117035
inchi
InChI=1S/C22H28N4O4S2/c1-30-22(29)14-12-9-5-6-10-13(12)31-20(14)26-19(28)17-16(23)15(18(24)27)21(32-17)25-11-7-3-2-4-8-11/h11,17H,2-10,23H2,1H3,(H2,24,27)(H,26,28)
inchikey
BSBMHYJURPIVPA-UHFFFAOYSA-N
mass
476.615
monoisotopicmass
476.15520
smiles
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C(=C(C(=NC4CCCCC4)S3)C(=O)N)N
Term relations
Subclass of: