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

Preferred term

simplicilliumtide a  

Type

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

Broader concept

charge

  • 0

formula

  • C28H38N4O5

inchi

  • InChI=1S/C28H38N4O5/c1-17(2)15-22(25(33)30-21-14-10-9-13-20(21)28(36)37)31-26(34)23(16-19-11-7-6-8-12-19)32(5)27(35)24(29)18(3)4/h6-14,17-18,22-24H,15-16,29H2,1-5H3,(H,30,33)(H,31,34)(H,36,37)/t22-,23+,24-/m0/s1

inchikey

  • WVSUPNBMEHZSFN-VXNXHJTFSA-N

mass

  • 510.635

monoisotopicmass

  • 510.28422

smiles

  • O=C(O)C1=C(NC(=O)[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](N)C(C)C)C)CC2=CC=CC=C2)CC(C)C)C=CC=C1

subset

  • 2_STAR

synonym EXACT

  • 2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]benzoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208570

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