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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic amide > 4-[[3-[(4-methylanilino)-oxomethyl]-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic amide > 4-[[3-[(4-methylanilino)-oxomethyl]-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic amide > 4-[[3-[(4-methylanilino)-oxomethyl]-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > aromatic amide > 4-[[3-[(4-methylanilino)-oxomethyl]-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid

Preferred term

4-[[3-[(4-methylanilino)-oxomethyl]-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C21H24N2O4S

inchi

  • InChI=1S/C21H24N2O4S/c1-13-7-9-14(10-8-13)22-20(27)19-15-5-3-2-4-6-16(15)28-21(19)23-17(24)11-12-18(25)26/h7-10H,2-6,11-12H2,1H3,(H,22,27)(H,23,24)(H,25,26)

inchikey

  • PCAAPIJWXOJZEZ-UHFFFAOYSA-N

mass

  • 400.493

monoisotopicmass

  • 400.14568

smiles

  • CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)CCC(=O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:107587

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