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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > depsipeptide > 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid [2-(cyclooctylamino)-2-oxoethyl] ester
organooxygen compound > carboxamide > peptide > depsipeptide > 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid [2-(cyclooctylamino)-2-oxoethyl] ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > depsipeptide > 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid [2-(cyclooctylamino)-2-oxoethyl] ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > depsipeptide > 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid [2-(cyclooctylamino)-2-oxoethyl] ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > depsipeptide > 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid [2-(cyclooctylamino)-2-oxoethyl] ester

Preferred term

3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid [2-(cyclooctylamino)-2-oxoethyl] ester  

Type

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

Broader concept

charge

  • 0

formula

  • C20H27N3O5S

inchi

  • InChI=1S/C20H27N3O5S/c24-18(22-15-8-4-2-1-3-5-9-15)14-28-19(25)12-13-21-20-16-10-6-7-11-17(16)29(26,27)23-20/h6-7,10-11,15H,1-5,8-9,12-14H2,(H,21,23)(H,22,24)

inchikey

  • HBPXDRUBDPGVTB-UHFFFAOYSA-N

mass

  • 421.512

monoisotopicmass

  • 421.16714

smiles

  • C1CCCC(CCC1)NC(=O)COC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:123388

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