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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 > carboxamide > peptide > simplicilliumtide d
organooxygen compound > carboxamide > peptide > simplicilliumtide d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > simplicilliumtide d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > simplicilliumtide d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > simplicilliumtide d

Preferred term

simplicilliumtide d  

Type

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

Broader concept

charge

  • 0

formula

  • C24H37N3O6

inchi

  • InChI=1S/C24H37N3O6/c1-7-15(4)21(25-16(5)28)23(31)27(6)20(13-17-8-10-18(29)11-9-17)22(30)26-19(24(32)33)12-14(2)3/h8-11,14-15,19-21,29H,7,12-13H2,1-6H3,(H,25,28)(H,26,30)(H,32,33)/t15-,19+,20-,21+/m1/s1

inchikey

  • YHTMLXXWOFCLDF-QAJUQPOASA-N

mass

  • 463.575

monoisotopicmass

  • 463.26824

smiles

  • O=C(O)[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)C)[C@@H](CC)C)C)CC1=CC=C(O)C=C1)CC(C)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(2R)-2-[[(2S,3R)-2-acetamido-3-methylpentanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206283

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