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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 > anacyclamide c8
organooxygen compound > carboxamide > peptide > cyclic peptide > anacyclamide c8
... > 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 > anacyclamide c8
... > 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 > anacyclamide c8
... > 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 > anacyclamide c8

Preferred term

anacyclamide c8  

Type

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

Broader concept

charge

  • 0

formula

  • C51H71N11O10

inchi

  • InChI=1S/C51H71N11O10/c1-7-30(6)43-50(71)55-35(19-20-41(52)64)44(65)58-38(25-33-26-53-27-54-33)47(68)57-37(23-32-15-17-34(63)18-16-32)46(67)56-36(22-28(2)3)45(66)59-39(24-31-12-9-8-10-13-31)51(72)62-21-11-14-40(62)48(69)60-42(29(4)5)49(70)61-43/h8-10,12-13,15-18,26-30,35-40,42-43,63H,7,11,14,19-25H2,1-6H3,(H2,52,64)(H,53,54)(H,55,71)(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,69)(H,61,70)/t30-,35-,36-,37-,38-,39-,40-,42-,43-/m0/s1

inchikey

  • FQIGKVHTFVHDQG-NXJJEAEESA-N

mass

  • 998.196

monoisotopicmass

  • 997.53854

smiles

  • O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CC3=CC=CC=C3)=O)CC(C)C)=O)CC4=CC=C(O)C=C4)=O)CC=5NC=NC5)CCC(=O)N)[C@H](CC)C)C(C)C)CCC2

subset

  • 2_STAR

synonym EXACT

  • 3-[(3S,6S,9S,12S,15S,18S,21S,24S)-3-benzyl-18-[(2S)-butan-2-yl]-9-[(4-hydroxyphenyl)methyl]-12-(1H-imidazol-5-ylmethyl)-6-(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-21-propan-2-yl-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosan-15-yl]propanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221808

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