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CHEBI:117035 - 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

Default Structure
ChEBI IDCHEBI:117035
ChEBI Name2-[[(3-amino-4-carbamoyl-5-cyclohexylimino-2H-thiophen-2-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
Stars
DownloadsMolfile
FormulaC22H28N4O4S2
Net Charge0
Average Mass476.624
Monoisotopic Mass476.15520
SMILESCOC(=O)c1c(NC(=O)C2SC(=NC3CCCCC3)C(C(N)=O)=C2N)sc2c1CCCC2
InChIInChI=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)
InChIKeyBSBMHYJURPIVPA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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 (CHEBI:117035) has functional parent β-amino acid (CHEBI:33706)
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 (CHEBI:117035) is a organonitrogen compound (CHEBI:35352)
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 (CHEBI:117035) is a organooxygen compound (CHEBI:36963)
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