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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 > (2s)-2-[(9ar)-3-hexanoyl-9a-methyl-2,9-dioxo-6-[(e)-prop-1-enyl]uro[3,2-g]isoquinolin-7-yl]propanoic acid

Preferred term

(2s)-2-[(9ar)-3-hexanoyl-9a-methyl-2,9-dioxo-6-[(e)-prop-1-enyl]uro[3,2-g]isoquinolin-7-yl]propanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H27NO6

inchi

  • InChI=1S/C24H27NO6/c1-5-7-8-10-19(26)20-18-12-15-11-16(9-6-2)25(14(3)22(28)29)13-17(15)21(27)24(18,4)31-23(20)30/h6,9,11-14H,5,7-8,10H2,1-4H3,(H,28,29)/b9-6+/t14-,24+/m0/s1

inchikey

  • XMFXGIQZMVOSTB-CUBAIVPCSA-N

mass

  • 425.481

monoisotopicmass

  • 425.18384

smiles

  • O=C1C=2C(C=C(/C=C/C)N(C2)[C@H](C(=O)O)C)=CC=3[C@]1(OC(=O)C3C(=O)CCCCC)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[(9aR)-3-hexanoyl-9a-methyl-2,9-dioxo-6-[(E)-prop-1-enyl]uro[3,2-g]isoquinolin-7-yl]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219543

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