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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 > (s)-n-[3-(3,4-methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(s)-alanine benzyl ester
organooxygen compound > carboxamide > peptide > (s)-n-[3-(3,4-methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(s)-alanine benzyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > (s)-n-[3-(3,4-methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(s)-alanine benzyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > (s)-n-[3-(3,4-methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(s)-alanine benzyl 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 > (s)-n-[3-(3,4-methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(s)-alanine benzyl ester

Preferred term

(s)-n-[3-(3,4-methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(s)-alanine benzyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C25H28N2O7S

inchi

  • InChI=1S/C25H28N2O7S/c1-15(25(30)32-12-17-6-4-3-5-7-17)26-24(29)20-11-19(21(27(20)31)13-35-16(2)28)18-8-9-22-23(10-18)34-14-33-22/h3-10,15,19-21,31H,11-14H2,1-2H3,(H,26,29)/t15-,19?,20-,21?/m0/s1

inchikey

  • VTZRKUFAIWPNRI-QOLSWGAYSA-N

mass

  • 500.566

monoisotopicmass

  • 500.16172

smiles

  • C[C@H](NC(=O)[C@@H]1CC(C(CSC(C)=O)N1O)c1ccc2OCOc2c1)C(=O)OCc1ccccc1

subset

  • 2_STAR

synonym EXACT

  • (S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(S)-alanine benzyl ester

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:431

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