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Chemistry, part 1

Content language

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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 > amino-acid derivative > alanine derivative > 4-amino-n5-[2-(4-morpholinyl)ethyl]-n5-[1-oxo-1-[(phenylmethyl)amino]propan-2-yl]isothiazole-3,5-dicarboxamide

Preferred term

4-amino-n5-[2-(4-morpholinyl)ethyl]-n5-[1-oxo-1-[(phenylmethyl)amino]propan-2-yl]isothiazole-3,5-dicarboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C21H28N6O4S

inchi

  • InChI=1S/C21H28N6O4S/c1-14(20(29)24-13-15-5-3-2-4-6-15)27(8-7-26-9-11-31-12-10-26)21(30)18-16(22)17(19(23)28)25-32-18/h2-6,14H,7-13,22H2,1H3,(H2,23,28)(H,24,29)

inchikey

  • DJFINWFRGRKWLZ-UHFFFAOYSA-N

mass

  • 460.552

monoisotopicmass

  • 460.18927

smiles

  • CC(C(=O)NCC1=CC=CC=C1)N(CCN2CCOCC2)C(=O)C3=C(C(=NS3)C(=O)N)N

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:107403

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