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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 > amino-acid derivative > glutamine derivative > solitumidine d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > glutamic acid derivative > glutamine derivative > solitumidine d

Preferred term

solitumidine d  

Type

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

Broader concept

charge

  • 0

formula

  • C20H27N3O5

inchi

  • InChI=1S/C20H27N3O5/c1-4-20(2,3)19(28)23-15-8-6-5-7-13(15)16(24)11-12-22-17(25)10-9-14(21)18(26)27/h4-8,14H,1,9-12,21H2,2-3H3,(H,22,25)(H,23,28)(H,26,27)/t14-/m0/s1

inchikey

  • DWHMGFROGDTAJR-AWEZNQCLSA-N

mass

  • 389.452

monoisotopicmass

  • 389.19507

smiles

  • O=C(NC1=C(C(=O)CCNC(=O)CC[C@H](N)C(=O)O)C=CC=C1)C(C=C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-amino-5-[[3-[2-(2,2-dimethylbut-3-enoylamino)phenyl]-3-oxopropyl]amino]-5-oxopentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225588

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