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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 > cyclic peptide > ap803
organooxygen compound > carboxamide > peptide > cyclic peptide > ap803
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > cyclic peptide > ap803
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > cyclic peptide > ap803
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > cyclic peptide > ap803

Preferred term

ap803  

Type

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

Broader concept

charge

  • 0

formula

  • C36H65N7O9S2

inchi

  • InChI=1S/C36H65N7O9S2/c1-10-23(6)29-33(47)39-26(15-18-54(9)52)30(44)37-16-12-11-13-24(41-36(51)42-28(35(49)50)20-22(4)5)31(45)38-25(14-17-53-8)32(46)40-27(19-21(2)3)34(48)43(29)7/h21-29H,10-20H2,1-9H3,(H,37,44)(H,38,45)(H,39,47)(H,40,46)(H,49,50)(H2,41,42,51)/t23?,24-,25+,26+,27+,28+,29?,54?/m1/s1

inchikey

  • ZMEKYFONCOOOPU-VLKLXNQJSA-N

mass

  • 804.080

monoisotopicmass

  • 803.42852

smiles

  • S(=O)(CC[C@@H]1NC(=O)C(N(C(=O)[C@@H](NC(=O)[C@H](CCSC)NC([C@@H](CCCCNC1=O)NC(=O)N[C@H](C(=O)O)CC(C)C)=O)CC(C)C)C)C(CC)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(3S,9S,12S,15R)-6-butan-2-yl-7-methyl-9-(2-methylpropyl)-12-(2-methylsulanylethyl)-3-(2-methylsulinylethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-4-methylpentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213980

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