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Concept information

Preferred term

سیکلواسپپتید A  

Type

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

Broader concept

charge

  • 0

formula

  • C36H43N5O6

inchi

  • InChI=1S/C36H43N5O6/c1-22(2)19-29-36(47)41(5)31(21-25-15-17-26(42)18-16-25)33(44)38-28-14-10-9-13-27(28)32(43)37-23(3)35(46)40(4)30(34(45)39-29)20-24-11-7-6-8-12-24/h6-18,22-23,29-31,42H,19-21H2,1-5H3,(H,37,43)(H,38,44)(H,39,45)/t23-,29-,30-,31-/m0/s1

inchikey

  • UPNQAUFZWGKHGZ-IAURBROLSA-N

mass

  • 641.769

monoisotopicmass

  • 641.32133

smiles

  • O=C1N[C@H](C(=O)N([C@H](C(=O)N[C@@H](CC(C)C)C(N([C@H](C(NC2=C1C=CC=C2)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C)C

subset

  • 2_STAR

synonym EXACT

  • (4S,7S,10S,13S)-10-benzyl-4-[(4-hydroxyphenyl)methyl]-5,11,13-trimethyl-7-(2-methylpropyl)-2,5,8,11,14-pentazabicyclo[14.4.0]icosa-1(20),16,18-triene-3,6,9,12,15-pentone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209393

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